SCHEMBL31549

SCHEMBL31549

COc1cc2c(cc1OC)[C@@H](CN)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 3/20 0.43
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
HCN4 Q9Y3Q4 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL383341 1.00 CYP3A4 (0.43) CYP3A4MAPTHTR2ANQO2MTNR1A
SCHEMBL7911834 1.00 CYP3A4 (0.43) CYP3A4MAPTHTR2ANQO2MTNR1A
SCHEMBL7436614 1.00 CYP3A4 (0.43) CYP3A4MAPTHTR2ANQO2MTNR1A
SCHEMBL31936524 1.00 CYP3A4 (0.43) CYP3A4MAPTHTR2ANQO2MTNR1A
Hydrochloric Acid SCHEMBL30081991 0.98 MAOA (0.42) CYP3A4MAPTHTR2ANQO2MTNR1A
Hydrochloric Acid SCHEMBL9427970 0.98 MAOA (0.42) CYP3A4MAPTHTR2ANQO2MTNR1A
Hydrochloric Acid SCHEMBL384338 0.98 MAOA (0.42) CYP3A4MAPTHTR2ANQO2MTNR1A
Hydrochloric Acid SCHEMBL7274416 0.98 MAOA (0.42) CYP3A4MAPTHTR2ANQO2MTNR1A
SCHEMBL20041776 0.92 HTR2A (0.38) CYP3A4MAPTHTR2ANQO2MTNR1A
SCHEMBL3163151 0.88 TAAR1 (0.41) HTR2ANQO2MTNR1AMTNR1BCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115862091-A Facial expression recognition method, device, equipment and medium based on Emo-ResNet 暨南大学 2023-03-28 CN claimed
EP-2739610-B1 PROCESS FOR THE MANUFACTURE OF IVABRADINE AND OF INTERMEDIATES OF SYNTHESIS THEREOF LABORATORIO CHIMICO INT SPA (IT) 2016-04-27 EP claimed
CN-103781767-B Preparation method of ivabradine and synthetic intermediate thereof LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2016-02-03 CN claimed
CN-102372642-B Preparation method of (1S)-4,5-dimethoxy-1-((methyl amino) methyl) benzo cyclobutane LIANYUNGANG WANKE BIOLOG TECHNOLOGY CO LTD 2014-01-08 CN 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-120944777-A Lactobacillus plantarum BN04 for improving male sperm motility and quality, metaplasia and application thereof 湖南益百益优生物科技有限公司 2025-11-14 CN disclosed
CN-120944777-A Lactobacillus plantarum BN04 for improving male sperm motility and quality, metaplasia and application thereof 湖南益百益优生物科技有限公司 2025-11-14 CN disclosed
CN-115313894-B Cascaded H-bridge topological structure and control method 中国电力科学研究院有限公司 2025-06-13 CN disclosed
CN-117285554-A Organic compound based on B/N condensed rings and application thereof 南京大学深圳研究院 2023-12-26 CN disclosed
US-20230116689-A1 METHODS AND BIOLOGICAL SYSTEMS FOR DISCOVERING AND OPTIMIZING LASSO PEPTIDES LASSOGEN, INC. 2023-04-13 US disclosed
CN-115862091-A Facial expression recognition method, device, equipment and medium based on Emo-ResNet 暨南大学 2023-03-28 CN disclosed
CN-1332933-C Process for the synthesis of (is)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane and uses thereof SERVIER LAB (FR) 2007-08-22 CN disclosed
EP-1598333-B1 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 SERVIER LAB (FR) 2006-10-18 EP 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
WO-2005123659-A1 METHOD OF SYNTHESISING (1S)-4,5-DIMETHOXY-1- (METHYLAMINOMETHYL)-BENZOCYCLOBUTANE AND THE ADDITION SALTS THEREOF, AND USE OF SAME FOR THE SYNTHESIS OF IVABRADINE AND THE PHARMACEUTICALLY-ACCEPTABLE ADDITION SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2005-12-29 WO 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
CN-1699331-A Process for the synthesis of (is)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane and uses thereof SERVIER LAB (FR) 2005-11-23 CN 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 CYP3A4 12/4885MAPT 4805/4885HTR2A 1682/4885

“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.