SCHEMBL24795

SCHEMBL24795

COc1cc2c(cc1OC)CC(=O)NCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
MAPT P10636 1/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MAOA P21397 3/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
INSR P06213 1/20 0.40
ALK Q9UM73 1/20 0.40

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
Hydrochloric Acid SCHEMBL30081995 0.98 CYP3A4 (0.50) CYP3A4MAPTMTNR1AMTNR1BGAA
SCHEMBL2060189 0.90 MTNR1A (0.46) CYP3A4MAPTMTNR1AMTNR1BGAA
SCHEMBL10648397 0.89 HTR2C (0.64) CYP3A4MAPTMTNR1AMTNR1BGAA
SCHEMBL2060925 0.84 MEN1 (0.43) CYP3A4MAPTMTNR1AMTNR1BGAA
SCHEMBL23364490 0.81 CYP3A4 (0.56) CYP3A4MAPTGAASMN1; SMN2KMT2A
SCHEMBL9739179 0.79 PARP10 (0.41) MTNR1AMTNR1BKDM4E
SCHEMBL10645877 0.79 CYP3A4 (0.62) CYP3A4MAPTGAASMN1; SMN2KMT2A
SCHEMBL5044544 0.78 DRD2 (0.53) MAPTMTNR1AMTNR1BGAAHTR2A
SCHEMBL227544 0.78 GAA (0.50) MAPTMTNR1AMTNR1BGAAHTR2A
SCHEMBL30468429 0.78 GAA (0.50) MAPTMTNR1AMTNR1BGAAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840469-B2 Polymorphic forms of ivabradine hydrochloride CADILA HEALTHCARE LIMITED (IN) 2017-12-12 US claimed
US-20170217898-A1 POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE CADILA HEALTHCARE LTD (IN) 2017-08-03 US claimed
EP-2097383-B1 Process for preparation of ivabradine hydrochloride CADILA HEALTHCARE LTD (IN) 2012-02-08 EP claimed
EP-2097383-A2 PROCESS FOR PREPARATION OF IVABRADINE HYDROCHLORIDE Cadila Healthcare Limited (IN) 2009-09-09 EP claimed
WO-2008065681-A2 PROCESS FOR PREPARATION OF IVABRADINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2008-06-05 WO 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 disclosed
EP-3558948-A1 NEW SALT OF IVABRADINE AND USES THEREOF Biogena (A.P.I) Ltd (CY) 2019-10-30 EP disclosed
WO-2019202611-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS METROCHEM API PVT (IN) 2019-10-24 WO disclosed
WO-2018115181-A1 NEW SALT OF IVABRADINE AND USES THEREOF Biogena (A.P.I) Ltd (CY) 2018-06-28 WO disclosed
WO-2018115181-A1 NEW SALT OF IVABRADINE AND USES THEREOF Biogena (A.P.I) Ltd (CY) 2018-06-28 WO disclosed
EP-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 EP disclosed
US-9840469-B2 Polymorphic forms of ivabradine hydrochloride CADILA HEALTHCARE LIMITED (IN) 2017-12-12 US 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-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

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-20170217898-A1 POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE CYP4F3, CYP4F2, SCN5A CYP3A4 32/4885MAPT 4445/4885MTNR1A 2198/4885

“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.