SCHEMBL629930

SCHEMBL629930

O=C(OCc1ccccc1)C1CCN1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
BACE1 P56817 1/20 0.51
GLA P06280 1/20 0.49
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2C P28335 2/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL20418703 1.00 TSHR (0.59) TSHRBACE1GLAFABP7FABP5
SCHEMBL15251729 1.00 TSHR (0.59) TSHRBACE1GLAFABP7FABP5
Hydrochloric Acid SCHEMBL7406170 0.98 TSHR (0.62) TSHRBACE1GLAFABP7FABP5
SCHEMBL693351 0.92 TSHR (0.63) TSHRBACE1GLAFABP7FABP5
SCHEMBL4069956 0.92 TSHR (0.63) TSHRBACE1GLAFABP7FABP5
SCHEMBL630517 0.92 TSHR (0.63) TSHRBACE1GLAFABP7FABP5
Trifluoroacetic Acid SCHEMBL11211637 0.91 TSHR (0.52) TSHRBACE1GLAFABP7FABP5
Trifluoroacetic Acid SCHEMBL29447618 0.91 TSHR (0.52) TSHRBACE1GLAFABP7FABP5
Hydrochloric Acid SCHEMBL630516 0.91 TSHR (0.65) TSHRBACE1GLAFABP7FABP5
Hydrochloric Acid SCHEMBL1000787 0.91 TSHR (0.65) TSHRBACE1GLAFABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444506-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2023-07-18 CN disclosed
CN-108892661-B Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2023-03-14 CN disclosed
EP-3466961-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Li, Min (US) 2019-04-10 EP disclosed
US-9434760-B2 Prolinamide derivatives as thrombin inhibitors, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-09-06 US disclosed
EP-2824097-A1 Prolinamide derivative as thrombin inhibitor, preparation method and application thereof Shanghai Institute of Pharmaceutical Industry (CN) 2015-01-14 EP disclosed
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-11-07 US disclosed
EP-2639230-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Pharmaceutical Industry (CN) 2013-09-18 EP disclosed
EP-2420499-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS POTENT PARP INHIBITORS ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
EP-0765340-B1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2000-08-30 EP disclosed
US-5776927-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1998-07-07 US disclosed
US-5770600-A Methionine sulfone and S-substituted cysteine sulfone derivatives as enzyme inhibitors CORVAS INTERNATIONAL, INC. (US) 1998-06-23 US disclosed
US-5739104-A CYCLIC PEPTIDES SCHERING CORPORATION (US) 1998-04-14 US disclosed
US-5681844-A ANTITHROMBOTIC AGENTS, ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1997-10-28 US disclosed
US-5646165-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1997-07-08 US disclosed
EP-0765340-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
EP-0760822-A1 ANTI-FUNGAL CYCLIC DEPSIPEPTIDES SCHERING CORPORATION (US) 1997-03-12 EP disclosed
WO-1995030692-A1 ANTI-FUNGAL CYCLIC DEPSIPEPTIDES SCHERING CORPORATION (US) 1995-11-16 WO disclosed
WO-1995028420-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-10-26 WO disclosed

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

For each of this compound's patents that has machine-readable text (1 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-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF PREP, TFPI, PEPD TSHR 373/4885BACE1 161/4885GLA 569/4885

“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.