SCHEMBL10645877

SCHEMBL10645877

COc1cc2c(cc1OC)CC(=O)NC(=O)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
MAPT P10636 1/20 0.62
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SRC P12931 2/20 0.46
EGFR P00533 1/20 0.46
TDP2 O95551 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL578508 0.86 SRC (0.57) CYP3A4MAPTGAASRCEGFR
SCHEMBL3560449 0.83 TDP2 (0.57) CYP3A4MAPTTDP2CYP1A2CYP2C9
SCHEMBL23364490 0.82 CYP3A4 (0.56) CYP3A4MAPTGAASMN1; SMN2SRC
SCHEMBL16864344 0.80 CYP3A4 (0.41) CYP3A4MAPTGAASMN1; SMN2SRC
SCHEMBL6585554 0.79 CYP3A4 (0.71) CYP3A4MAPTGAASMN1; SMN2KMT2A
SCHEMBL24795 0.79 CYP3A4 (0.52) CYP3A4MAPTGAASMN1; SMN2CRHBP
SCHEMBL4571013 0.78 CYP3A4 (1.00) CYP3A4MAPTGAASMN1; SMN2CYP2C9
SCHEMBL22953335 0.78 CYP3A4 (1.00) CYP3A4MAPTGAASMN1; SMN2CYP2C9
SCHEMBL2138785 0.78 CYP3A4 (1.00) CYP3A4MAPTGAASMN1; SMN2CYP2C9
SCHEMBL29394312 0.78 CYP3A4 (1.00) CYP3A4MAPTGAASMN1; SMN2CYP2C9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784066-B1 Process for the synthesis of derivatives of 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one and its use for the preparation of ivabradine SERVIER LAB (FR) 2015-07-01 EP disclosed
EP-2784066-B1 Process for the synthesis of derivatives of 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one and its use for the preparation of ivabradine SERVIER LAB (FR) 2015-07-01 EP disclosed
US-8927708-B2 Process for the synthesis of 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one compounds, and application in the synthesis of ivabradine LES LABORATOIRES SERVIER (FR) 2015-01-06 US disclosed
US-8927708-B2 Process for the synthesis of 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one compounds, and application in the synthesis of ivabradine LES LABORATOIRES SERVIER (FR) 2015-01-06 US disclosed
US-20140296512-A1 PROCESS FOR THE SYNTHESIS OF 7,8-DIMETHOXY-1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE COMPOUNDS, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE LES LABORATOIRES SERVIER (FR) 2014-10-02 US disclosed
US-20140296512-A1 PROCESS FOR THE SYNTHESIS OF 7,8-DIMETHOXY-1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE COMPOUNDS, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE LES LABORATOIRES SERVIER (FR) 2014-10-02 US disclosed
WO-2014154994-A1 METHOD FOR THE SYNTHESIS OF DERIVATIVES OF 7,8-DIMETHOXY-1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE AND APPLICATION TO THE SYNTHESIS OF IVABRADINE LES LABORATOIRES SERVIER (FR) 2014-10-02 WO disclosed
WO-2014154994-A1 METHOD FOR THE SYNTHESIS OF DERIVATIVES OF 7,8-DIMETHOXY-1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE AND APPLICATION TO THE SYNTHESIS OF IVABRADINE LES LABORATOIRES SERVIER (FR) 2014-10-02 WO disclosed
EP-2784066-A1 Process for the synthesis of derivatives of 7,8-dimethoxy-1,3-dihydro-2h-3-benzazépin-2-one and its use for the preparation of ivabradine Les Laboratoires Servier (FR) 2014-10-01 EP disclosed
EP-2784066-A1 Process for the synthesis of derivatives of 7,8-dimethoxy-1,3-dihydro-2h-3-benzazépin-2-one and its use for the preparation of ivabradine Les Laboratoires Servier (FR) 2014-10-01 EP disclosed
EP-0146787-B1 INDOLE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1988-08-17 EP disclosed
US-4737495-A ANTIALLERGENS, ANTISCHEMIC, HYPOTENSIVE AGENTS DR. KARL TOMAE, GMBH (DE) 1988-04-12 US disclosed
EP-0204349-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-12-10 EP disclosed
US-4616011-A BRADYCARDIAL AND ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1986-10-07 US disclosed
US-4584293-A LOWER HEART RATE AND OXYGEN REQUIREMENT DR. KARL THOMAE GMBH (DE) 1986-04-22 US disclosed
EP-0161604-A2 Aminotetralin derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-11-21 EP disclosed
EP-0065229-B1 BENZAZEPINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Dr. Karl Thomae GmbH (DE) 1985-08-07 EP disclosed
EP-0146787-A2 Indole derivatives, medicaments containing these compounds, and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-07-03 EP disclosed
US-4490369-A HYPOTENSIVE, BRRADYCARDIAL DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0065229-A1 Benzazepines, process for their preparation and their application as pharmaceutical preparations Dr. Karl Thomae GmbH (DE) 1982-11-24 EP 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-20140296512-A1 PROCESS FOR THE SYNTHESIS OF 7,8-DIMETHOXY-1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE COMPOUNDS, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE KCNB1, KCNB2, KCNMB1 CYP3A4 138/4885MAPT 4810/4885GAA 1049/4885

“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.