SCHEMBL333847

SCHEMBL333847

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
BRD4 O60885 1/20 0.53
CYP3A4 P08684 3/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
MAOA P21397 2/20 0.36
ACHE P22303 1/20 0.36
GRIN2D O15399 1/20 0.35

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
Oxalic Acid SCHEMBL15319252 0.93 GAA (0.56) GAABRD4CYP3A4MAPTCRHBP
SCHEMBL28634068 0.89 GAA (0.58) GAABRD4CYP3A4MAPTCRHBP
SCHEMBL15906664 0.88 GAA (0.57) GAABRD4ALDH1A1MAOAACHE
SCHEMBL11045652 0.88 GAA (0.57) GAABRD4CYP3A4MAPTCRHBP
SCHEMBL13593675 0.84 GAA (0.53) GAABRD4CYP3A4MAPTCRHBP
SCHEMBL11041593 0.83 GAA (0.51) GAABRD4CYP3A4MAPTKMT2A
SCHEMBL11044416 0.80 BRD4 (0.45) GAABRD4CYP3A4MAPTKMT2A
SCHEMBL30468397 0.78 GAA (1.00) GAASRCALDH1A1MAOAACHE
SCHEMBL9214465 0.77 GAA (0.55) GAA
SCHEMBL11038245 0.75 GAA (0.53) GAAGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114324715-B Detection method of related substances in 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2023-06-02 CN claimed
CN-114324715-A Method for detecting related substances in 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2022-04-12 CN claimed
CN-112946143-A Analysis and detection method of 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2021-06-11 CN claimed
CN-111187211-A Preparation method of dimer impurity in ivabradine hydrochloride intermediate 北京鑫开元医药科技有限公司海南分公司 2020-05-22 CN claimed
WO-2017138017-A1 PROCESS FOR THE PREPARATION OF BENZAZEPINE-2-ONE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2017-08-17 WO claimed
WO-2014020534-A1 IVABRADINE HYDROCHLORIDE AND THE PROCESSES FOR PREPARATION THEREOF BIOCON LIMITED (IN) 2014-02-06 WO claimed
CN-114324715-B Detection method of related substances in 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2023-06-02 CN disclosed
CN-114324715-B Detection method of related substances in 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2023-06-02 CN disclosed
CN-112946143-B Analysis and detection method of 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2023-02-28 CN disclosed
CN-112946143-B Analysis and detection method of 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2023-02-28 CN disclosed
CN-114324715-A Method for detecting related substances in 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2022-04-12 CN disclosed
CN-112946143-A Analysis and detection method of 7, 8-dimethoxy-1, 3-dihydro-2H-3-benzazepin-2-ketone 海南鑫开源医药科技有限公司 2021-06-11 CN disclosed
EP-2135861-B2 Process for the synthesis of the 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, and its application to the synthesis of ivabradine as well as its addition salts with a pharmaceutically acceptable acid SERVIER LAB (FR) 2020-12-16 EP disclosed
EP-0116444-A2 Improvements in or relating to benzazepine derivatives ELI LILLY AND COMPANY (US) 1984-08-22 EP disclosed
EP-0109636-A2 Benzazepine derivatives, process for their preparation and their use as pharmaceutical compounds Dr. Karl Thomae GmbH (DE) 1984-05-30 EP disclosed
EP-0080012-A1 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate SMITHKLINE BECKMAN CORPORATION (US) 1983-06-01 EP disclosed
EP-0007070-B1 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 EP 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
US-4265890-A ANTIPSYCHOTIC, ANTIEMETICS SMITHKLINE CORPORATION (US) 1981-05-05 US disclosed
EP-0007070-A1 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity SMITHKLINE BECKMAN CORPORATION (US) 1980-01-23 EP disclosed