SCHEMBL224105

SCHEMBL224105

CNCC1Cc2cc(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
SCHEMBL221006 1.00 NQO2 (0.43) NQO2MTNR1AMTNR1BCYP3A4MAPT
SCHEMBL3143084 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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198485-B2 Resolution of 4,5-dimethoxy-1-(methylaminomenthyl)-benzocyclobutane JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2012-06-12 US claimed
US-20120004463-A1 RESOLUTION OF 4,5-DIMETHOXY-1-(METHYLAMINOMENTHYL)-BENZOCYCLOBUTANE JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2012-01-05 US 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
EP-3303297-B1 NEW METHOD FOR THE PREPARATION OF HIGHLY PURE IVABRADINE BASE AND SALTS THEREOF URQUIMA SA (ES) 2020-12-02 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
EP-3331862-A1 A PROCESS FOR PREPARATION OF SOLID IVABRADINE HYDROCHLORIDE Synthon BV (NL) 2018-06-13 EP disclosed
EP-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 EP disclosed
EP-3156399-A1 POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE Cadila Healthcare Limited (IN) 2017-04-19 EP disclosed
WO-2017021466-A1 A PROCESS FOR PREPARATION OF SOLID IVABRADINE HYDROCHLORIDE SYNTHON B.V. (NL) 2017-02-09 WO disclosed
EP-2803659-B1 Method for synthesising 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile and use for synthesising ivabradine and the added salts thereof with a pharmaceutically acceptable acid SERVIER LAB (FR) 2017-01-04 EP disclosed
US-9506095-B2 Process for the enzymatic synthesis of (7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid or esters thereof, and application in the synthesis of ivabradine and salts thereof LES LABORATORIES SERVIER (FR) 2016-11-29 US disclosed
WO-2009066041-A2 DERIVATIVES OF 1,2,4,5-TETRAHYDRO-3H-BENZAZEPINES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-05-28 WO disclosed
WO-2009062377-A1 RESOLUTION OF 4,5-DIMETHOXY-1-(METHYLAMINOMETHYL)-BENZOCYCLOBUTANE JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2009-05-22 WO disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 US disclosed
WO-2008065681-A2 PROCESS FOR PREPARATION OF IVABRADINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2008-06-05 WO disclosed
EP-1345594-B1 THERMOFORMABLE SOLID PHARMACEUTICAL COMPOSITION FOR CONTROLLED RELEASE OF IVABRADINE SERVIER LAB (FR) 2007-01-24 EP disclosed
US-5296482-A (Benzocycloalkyl) alkylamines ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
EP-0534859-A1 Benzocyclobutyl- or indanyl-alkyl-amino-alkyl substituted 3-benzazepin-2-ones useful in the treatment of cardiovascular diseases ADIR ET COMPAGNIE (FR) 1993-03-31 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 (2 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-20120004463-A1 RESOLUTION OF 4,5-DIMETHOXY-1-(METHYLAMINOMENTHYL)-BENZOCYCLOBUTANE DLAT, DLST, ADH1A NQO2 2746/4885MTNR1A 2612/4885MTNR1B 2705/4885
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 NQO2 1600/4885MTNR1A 60/4885MTNR1B 65/4885

“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.