Dabigatran Etexilate

Dabigatran Etexilate

SCHEMBL505829

CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

F2

The experimentally established mechanism targets of Dabigatran Etexilate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 19/20 0.77
NR1I2 O75469 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
SLC6A2 P23975 1/20 0.77
AGTR1 P30556 1/20 0.77
SLC6A3 Q01959 1/20 0.77
SCN5A Q14524 1/20 0.77
NQO2 P16083 2/20 0.76
SLC22A2 O15244 1/20 0.63
F10 P00742 1/20 0.63
PLG P00747 1/20 0.63
PLAT P00750 1/20 0.63
PROC P04070 1/20 0.63
HPN P05981 1/20 0.63
PRSS1 P07477 1/20 0.63
PRSS2 P07478 1/20 0.63
PRSS3 P35030 1/20 0.63
SLC47A2 Q86VL8 1/20 0.63
SLC47A1 Q96FL8 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6781620 1.00 F2 (0.77) F2NR1I2ADORA3SLC6A2AGTR1
Dabigatran Etexilate SCHEMBL4288129 0.99 F2 (0.76) F2NR1I2ADORA3SLC6A2AGTR1
Dabigatran Etexilate SCHEMBL3576423 0.99 F2 (0.76) F2NR1I2ADORA3SLC6A2AGTR1
Dabigatran Etexilate SCHEMBL6517210 0.99 F2 (0.76) F2NR1I2ADORA3SLC6A2AGTR1
Dabigatran Etexilate SCHEMBL1268805 0.98 F2 (0.74) F2NR1I2ADORA3SLC6A2AGTR1
Dabigatran Etexilate SCHEMBL2525835 0.97 F2 (0.73) F2NR1I2ADORA3SLC6A2AGTR1
Dabigatran Etexilate SCHEMBL2525834 0.97 F2 (0.73) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL6775505 0.96 F2 (0.70) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL6781399 0.96 F2 (0.70) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL6781408 0.96 F2 (0.70) F2NR1I2ADORA3SLC6A2AGTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 413 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485094-B2 DOSAGE FORM FOR ORAL ADMINISTRATION OF 3-[(2-{[4-(HEXYLOXYCARBONYLAMINO-IMINO-METHYL)-PHENYLAMINO]-METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)-PYRIDIN-2-YL-AMINO] PROPIONIC ACID ETHYL ESTER OR ITS SALTS BOEHRINGER INGELHEIM INT (DE) 2020-03-25 EP claimed
US-20200085807-A1 ADMINISTRATION OF ETHYL 3-[(2-{[4-(HEXYLOXYCARBONYL-AMINOIMINOMETHYL)PHENYL-AMINO]METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)PYRIDIN-2-YLAMINO]PROPIONATE BOEHRINGER INGELHEIM INT (DE) 2020-03-19 US claimed
US-20190231766-A1 ADMINISTRATION OF ETHYL 3-[(2-{[4-(HEXYLOXYCARBONYL-AMINOIMINOMETHYL)PHENYL-AMINO]METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)PYRIDIN-2-YLAMINO]PROPIONATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-01 US claimed
US-20180221359-A1 ADMINISTRATION OF ETHYL 3-[(2-{[4-(HEXYLOXYCARBONYL-AMINOIMINOMETHYL)PHENYL-AMINO]METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)PYRIDIN-2-YLAMINO]PROPIONATE BOEHRINGER INGELHEIM INT (DE) 2018-08-09 US claimed
EP-2834224-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF MSN LAB LTD (IN) 2018-06-06 EP claimed
US-9925174-B2 Administration form for the oral application of 3-[(2-{[4-(hexyloxycarbonyl-amino-imino-methyl)-phenylamino]-methyl}-1-methyl-1 H-benzimidazol acid ethyl ester and the salts thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-27 US claimed
US-20150210778-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INT (DE) 2015-07-30 US claimed
US-20150087842-A1 Process For The Preparation Of Benzimidazole Derivatives And Salts Thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-03-26 US claimed
US-20150005350-A1 ADMINISTRATION OF ETHYL 3-[(2--1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)PYRIDIN-2-YLAMINO]PROPIONATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-01 US claimed
US-20130289248-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US claimed
US-20060276513-A1 Polymorphs of 3-[(2-{[4-(hexyloxycarbonylamino-imino-methyl)-phenylamino]-methyl}-1-methyl-1H- benzimidazole-5-carbonyl)-pyridin-2-yl-amino]-propionic acid ethyl ester BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US claimed
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US claimed
US-20060183779-A1 ADMINISTRATION FORM FOR THE ORAL APPLICATION OF 3-[(2-{[4-(HEXYLOXYCARBONYLAMINO-IMINO-METHYL)-PHENYLAMINO]-METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER AND THE SALTS THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-08-17 US claimed
WO-2006045756-A1 USE OF DIPYRIDAMOLE IN COMBINATION WITH ANTITHROMBOTICS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 WO claimed
US-20050234104-A1 Dabigatran etexilate mesylate polymorph, crystalline form of a prodrug used for post-operative prophylaxis of deep vein thrombosis and the prevention of a stroke; stability; solubility; reproduciblity; hydrophobic; pharmacological potency; low amorphization during grinding and compression BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
US-20050107438-A1 Pharmaceutical composition comprising 3-[(2-{[4-(Hexyloxycarbonylaminoiminomethyl) phenylamino]-methyl}-1-methyl-1H-benzimidazol-5-carbonyl)-pyridin-2-yl-amino]-propionic acid ethyl ester or a salt therefore BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US claimed
US-20050038077-A1 Tablet containing 3-[(2-{[4-(hexyloxycarbonylamino-imino-methyl)-phenylamino]-methyl}-1-methyl-1H- benzimidazol-5-carbonyl)-pyridin-2-yl-amino]-propionic acid ethylester or the salts thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 US claimed
US-20050014770-A1 Use of dipyridamole or mopidamole for treatment and prevention of thromboembolic diseases and disorders caused by excessive formation of thrombin and/or by elevated expression of thrombin receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US claimed
US-20030181488-A1 Dabigatran etexilate or its methanesulfonate salt; water solubility, treating deep-vein thrombosis; pellelization; bioavailability, drug delivery BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-25 US claimed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200085807-A1 ADMINISTRATION OF ETHYL 3-[(2-{[4-(HEXYLOXYCARBONYL-AMINOIMINOMETHYL)PHENYL-AMINO]METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)PYRIDIN-2-YLAMINO]PROPIONATE CHRM3, CHRM5, CHRM4 F2 2256/4885NR1I2 185/4885ADORA3 409/4885
US-20050107438-A1 Pharmaceutical composition comprising 3-[(2-{[4-(Hexyloxycarbonylaminoiminomethyl) phenylamino]-methyl}-1-methyl-1H-benzimidazol-5-carbonyl)-pyridin-2-yl-amino]-propionic acid ethyl ester or a salt therefore SLCO4C1, SLCO1B3, SLCO1B1 F2 2345/4885NR1I2 321/4885ADORA3 341/4885
US-20050038077-A1 Tablet containing 3-[(2-{[4-(hexyloxycarbonylamino-imino-methyl)-phenylamino]-methyl}-1-methyl-1H- benzimidazol-5-carbonyl)-pyridin-2-yl-amino]-propionic acid ethylester or the salts thereof PIR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 F2 1003/4885NR1I2 2085/4885ADORA3 429/4885
US-20060276513-A1 Polymorphs of 3-[(2-{[4-(hexyloxycarbonylamino-imino-methyl)-phenylamino]-methyl}-1-methyl-1H- benzimidazole-5-carbonyl)-pyridin-2-yl-amino]-propionic acid ethyl ester OPRM1, HTR3C, HTR3A F2 421/4885NR1I2 42/4885ADORA3 117/4885
US-20150210778-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885NR1I2 2105/4885ADORA3 108/4885
US-20130289248-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885NR1I2 2105/4885ADORA3 108/4885
US-20180221359-A1 ADMINISTRATION OF ETHYL 3-[(2-{[4-(HEXYLOXYCARBONYL-AMINOIMINOMETHYL)PHENYL-AMINO]METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)PYRIDIN-2-YLAMINO]PROPIONATE CHRM3, CHRM5, CHRM4 F2 2256/4885NR1I2 185/4885ADORA3 409/4885
US-20050234104-A1 Dabigatran etexilate mesylate polymorph, crystalline form of a prodrug used for post-operative prophylaxis of deep vein thrombosis and the prevention of a stroke; stability; solubility; reproduciblity; hydrophobic; pharmacological potency; low amorphization during grinding and compression CYP2C9, CYP3A4, CYP2C19 F2 13/4885NR1I2 397/4885ADORA3 220/4885
US-20050014770-A1 Use of dipyridamole or mopidamole for treatment and prevention of thromboembolic diseases and disorders caused by excessive formation of thrombin and/or by elevated expression of thrombin receptors PTAFR, PLAT, MPL F2 38/4885NR1I2 1421/4885ADORA3 304/4885
US-20150087842-A1 Process For The Preparation Of Benzimidazole Derivatives And Salts Thereof AZI2, IL4I1, ABAT F2 4142/4885NR1I2 2137/4885ADORA3 2620/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 F2 4/4885NR1I2 419/4885ADORA3 838/4885
US-20150005350-A1 ADMINISTRATION OF ETHYL 3-[(2--1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)PYRIDIN-2-YLAMINO]PROPIONATE CHRM3, PLPBP, FABP2 F2 2210/4885NR1I2 119/4885ADORA3 834/4885
US-20060183779-A1 ADMINISTRATION FORM FOR THE ORAL APPLICATION OF 3-[(2-{[4-(HEXYLOXYCARBONYLAMINO-IMINO-METHYL)-PHENYLAMINO]-METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER AND THE SALTS THEREOF FABP2, SLC16A1, SLC16A3 F2 1405/4885NR1I2 238/4885ADORA3 339/4885
US-20190231766-A1 ADMINISTRATION OF ETHYL 3-[(2-{[4-(HEXYLOXYCARBONYL-AMINOIMINOMETHYL)PHENYL-AMINO]METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)PYRIDIN-2-YLAMINO]PROPIONATE CHRM3, CHRM5, CHRM4 F2 2256/4885NR1I2 185/4885ADORA3 409/4885
US-20030181488-A1 Dabigatran etexilate or its methanesulfonate salt; water solubility, treating deep-vein thrombosis; pellelization; bioavailability, drug delivery SELP, PLG, TFPI F2 10/4885NR1I2 977/4885ADORA3 903/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.