SCHEMBL6633115

SCHEMBL6633115

COc1ccc(CCN(C)CCCN)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.79
CYP1A2 P05177 3/20 0.79
CYP2D6 P10635 3/20 0.79
BLM P54132 2/20 0.77
PMP22 Q01453 1/20 0.77
SMPD1 P17405 6/20 0.65
AOC3 Q16853 1/20 0.65
KDM4E B2RXH2 4/20 0.63
ATM Q13315 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ABCB1 P08183 4/20 0.54
ABCC1 P33527 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 2/20 0.54
SLC22A1 O15245 1/20 0.54
CACNA1F O60840 1/20 0.54
ABCB11 O95342 1/20 0.54

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
SCHEMBL8828433 0.95 CYP3A4 (0.77) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL9158846 0.94 CYP3A4 (0.74) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL8828336 0.91 CYP3A4 (0.84) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL18239557 0.91 CYP3A4 (0.90) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL7430428 0.89 CYP1A2 (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL7194533 0.87 BLM (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL29651387 0.87 BLM (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL13969525 0.86 CYP3A4 (0.81) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL7266640 0.85 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL11546332 0.85 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266772-A1 Polymorph salt of a pryridazinone derivative for the treatment of arrythmia EGIS GYOGYSZERGYAR RT. (HU) 2004-12-30 US disclosed
EP-1417179-A1 POLYMORPH SALT OF A PYRIDAZINONE DERIVATIVE FOR THE TREATMENT OF ARRHYTHMIA Egis Gyogyszergyar Rt. (HU) 2004-05-12 EP disclosed
US-6570037-B2 Reacting a primary amine derivative containing another secondary or tertiary amine with a nitrobenzene containing carbonyl halide group SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 2003-05-27 US disclosed
CN-1109033-C 8-substituted-9H-1,3-dioxolo/4,5-h/2,3/benzodiazepine derivatives, as Ampa/kainate receptor inhibitors EGIS PHARMACEUTICAL R RT (HU) 2003-05-21 CN disclosed
WO-2003010150-A1 POLYMORPH SALT OF A PYRIDAZINONE DERIVATIVE FOR THE TREATMENT OF ARRYTHMIA EGIS Gyógyszergyár Rt. (HU) 2003-02-06 WO disclosed
US-20020107243-A1 Nitro-benzamides useful as Anti-arrhythmic agents SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES 2002-08-08 US disclosed
US-20010025054-A1 Nitro-benzamides useful as anti-arrhythmic agents SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
CN-1272846-A 8-substituted-9H-1, 3-dioxolane/4, 5-H/2, 3/benzodiazepine * derivatives as Ampa/kainic acid receptor inhibitors EGIS PHARMACEUTICAL R RT (HU) 2000-11-08 CN disclosed
EP-0788474-B1 NITRO-BENZAMIDES USEFUL AS ANTI-ARRHYTHMIC AGENTS SMITHKLINE BEECHAM (FR) 2000-05-03 EP disclosed
US-5977179-A Nitro-benzamides useful as anti-arrhythmic agents SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-02 US disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed
US-4134980-A Phenylalkylamino-alkyl derivatives of quinazolinone and phthalazinone BOEHRINGER INGELHEIM GMBH (DE) 1979-01-16 US disclosed
US-4087541-A REDUCING HEART RATE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-02 US disclosed
US-4038407-A HEART RATE SLOWING DRUGS BOEHRINGER INGELHEIM GMBH (DT) 1977-07-26 US disclosed
US-4021558-A 1,3-Dioxo-2-[(methoxyphenethyl-amino)-alkyl]-4,4-dimethyl-isoquinolines and salts thereof useful as hypotensive agents BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US disclosed
US-3948898-A HYPOTENSIVES, SEDATIVES, ANTIARRHYTHMICS, BRADYCARDIACS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-06 US 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 (3 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-20020107243-A1 Nitro-benzamides useful as Anti-arrhythmic agents KCNH1, KCNH2, SCN2B CYP3A4 114/4885CYP1A2 128/4885CYP2D6 64/4885
US-20010025054-A1 Nitro-benzamides useful as anti-arrhythmic agents KCNH1, KCNH2, SCN2B CYP3A4 114/4885CYP1A2 128/4885CYP2D6 64/4885
US-20040266772-A1 Polymorph salt of a pryridazinone derivative for the treatment of arrythmia SCN5A, CYP3A5, CYP2C19 CYP3A4 4/4885CYP1A2 21/4885CYP2D6 5/4885

“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.