SCHEMBL221006

SCHEMBL221006

CNC[C@H]1Cc2cc(OC)c(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
HCN4 Q9Y3Q4 1/20 0.39
MAOA P21397 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
RAD52 P43351 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL7900037 1.00 NQO2 (0.43) NQO2MTNR1AMTNR1BCYP3A4MAPT
SCHEMBL29561955 1.00 NQO2 (0.43) NQO2MTNR1AMTNR1BCYP3A4MAPT
SCHEMBL3143084 1.00 NQO2 (0.43) NQO2MTNR1AMTNR1BCYP3A4MAPT
SCHEMBL224105 1.00 NQO2 (0.43) NQO2MTNR1AMTNR1BCYP3A4MAPT
SCHEMBL28004385 1.00 NQO2 (0.43) NQO2MTNR1AMTNR1BCYP3A4MAPT
Hydrochloric Acid SCHEMBL385259 0.98 NQO2 (0.42) NQO2MTNR1AMTNR1BCYP3A4MAPT
Hydrochloric Acid SCHEMBL30626131 0.98 NQO2 (0.42) NQO2MTNR1AMTNR1BCYP3A4MAPT
Hydrochloric Acid SCHEMBL29693806 0.98 NQO2 (0.42) NQO2MTNR1AMTNR1BCYP3A4MAPT
Hydrochloric Acid SCHEMBL547432 0.98 NQO2 (0.42) NQO2MTNR1AMTNR1BCYP3A4MAPT
Hydrochloric Acid SCHEMBL29693778 0.98 NQO2 (0.42) NQO2MTNR1AMTNR1BCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809554-B2 Process for preparing ivabradine OLON S.P.A. (IT) 2017-11-07 US claimed
CN-104788377-B Preparation method of ivabradine and pharmaceutical salt thereof 浙江美诺华药物化学有限公司 2017-04-19 CN claimed
CN-104557573-A Preparation method of (1S)-4,5-dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride SHANGHAI TIANCI BIOLOG VALLEY BIOLOG ENGINEERING CO LTD 2015-04-29 CN claimed
EP-2213651-B1 RESOLUTION OF 4,5-DIMETHOXY-1-(METHYLAMINOMETHYL)-BENZOCYCLOBUTANE JIANGSU HENGRUI MEDICINE CO (CN) 2012-12-19 EP claimed
US-8198485-B2 Resolution of 4,5-dimethoxy-1-(methylaminomenthyl)-benzocyclobutane JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2012-06-12 US claimed
EP-2097383-B1 Process for preparation of ivabradine hydrochloride CADILA HEALTHCARE LTD (IN) 2012-02-08 EP claimed
EP-2213651-A1 RESOLUTION OF 4,5-DIMETHOXY-1-(METHYLAMINOMETHYL)-BENZOCYCLOBUTANE Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-08-04 EP claimed
EP-2097383-A2 PROCESS FOR PREPARATION OF IVABRADINE HYDROCHLORIDE Cadila Healthcare Limited (IN) 2009-09-09 EP claimed
CN-101284813-A Preparation method of ivabradine SHANGHAI UTOPHARM CO LTD (CN) 2008-10-15 CN claimed
WO-2008065681-A2 PROCESS FOR PREPARATION OF IVABRADINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2008-06-05 WO claimed
CN-114324714-B Method for detecting (1S) -4, 5-dimethoxy-1- [ (methylamino) methyl ] benzocyclobutane hydrochloride 海南鑫开源医药科技有限公司 2023-06-30 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-111220727-B Method for detecting enantiomer in ivabradine hydrochloride intermediate and application 北京鑫开元医药科技有限公司海南分公司 2022-04-26 CN disclosed
CN-114324714-A Method for detecting (1S) -4, 5-dimethoxy-1- [ (methylamino) methyl ] benzocyclobutane hydrochloride 海南鑫开源医药科技有限公司 2022-04-12 CN disclosed
US-6982350-B2 Process for the synthesis of (1S)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane and addition salts thereof, and to the application thereof in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2006-01-03 US disclosed
US-6982350-B2 Process for the synthesis of (1S)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane and addition salts thereof, and to the application thereof in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2006-01-03 US disclosed
US-20050261376-A1 PROCESS FOR THE SYNTHESIS OF (IS)-4,5-DIMETHOXY-1-(METHYLAMINOMETHYL)-BENZOCYCLOBUTANE AND ADDITION SALTS THEREOF, AND TO THE APPLICATION THEREOF IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2005-11-24 US disclosed
EP-1598333-A1 Process for the preparation of (1S)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane, acid addition salts thereof and its use for the synthesis of ivabradine and for its pharmaceutically acceptable acid addition salts Les Laboratoires Servier (FR) 2005-11-23 EP disclosed
EP-1598333-A1 Process for the preparation of (1S)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane, acid addition salts thereof and its use for the synthesis of ivabradine and for its pharmaceutically acceptable acid addition salts Les Laboratoires Servier (FR) 2005-11-23 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-20050261376-A1 PROCESS FOR THE SYNTHESIS OF (IS)-4,5-DIMETHOXY-1-(METHYLAMINOMETHYL)-BENZOCYCLOBUTANE AND ADDITION SALTS THEREOF, AND TO THE APPLICATION THEREOF IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4B1, CYP4F2, CYP2S1 NQO2 1117/4885MTNR1A 2450/4885MTNR1B 1558/4885

“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.