SCHEMBL547259

SCHEMBL547259

COc1cc2c(cc1OC)C(C(=O)O)C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 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
SCHEMBL547260 1.00 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CYP3A4MAPTALDH1A1
SCHEMBL31409460 1.00 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CYP3A4MAPTALDH1A1
SCHEMBL547261 1.00 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CYP3A4MAPTALDH1A1
SCHEMBL15188762 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CYP3A4MAPTACHE
SCHEMBL15188760 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CYP3A4MAPTACHE
SCHEMBL15188761 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CYP3A4MAPTACHE
SCHEMBL3130145 0.84 SMN1; SMN2 (0.43) SMN1; SMN2TRPV1CA1CA2
SCHEMBL12182386 0.84 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4MAPT
SCHEMBL548190 0.84 SMN1; SMN2 (0.43) SMN1; SMN2TRPV1CA1CA2
SCHEMBL9722208 0.83 NQO2 (0.51) SMN1; SMN2TRPV1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566850-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS Richter Gedeon Nyrt. (HU) 2013-03-13 EP claimed
WO-2011138625-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS RICHTER GEDEON NYRT. (HU) 2011-11-10 WO claimed
EP-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 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
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
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
EP-2626428-B1 Method for enzymatic synthesis of (7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid or the esters thereof, and use for the synthesis of ivabradine and the salts thereof SERVIER LAB (FR) 2015-05-27 EP disclosed
EP-2626428-B1 Method for enzymatic synthesis of (7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid or the esters thereof, and use for the synthesis of ivabradine and the salts thereof SERVIER LAB (FR) 2015-05-27 EP disclosed
WO-2014131996-A1 METHOD FOR THE ENZYMATIC SYNTHESIS OF (7S) 3,4-DIMETHOXYBICYCLO[4.2.0]OCTA-1,3,5-TRIENE 7-CARBOXYLIC ACID AND USE THEREOF IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2014-09-04 WO disclosed
WO-2013117869-A2 METHOD FOR ENZYMATICALLY SYNTHESIZING (7S)-3,4-DIMETHOXY BICYCLE[4.20] OCTA-1,3,5-TRIENE-7-CARBOXYLIC ACID OR THE ESTERS THEREOF, AND USE IN THE SYNTHESIS OF IVABRADINE AND THE SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2013-08-15 WO disclosed
US-20130210091-A1 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 LABORATOIRES SERVIER (FR) 2013-08-15 US disclosed
US-8288581-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-10-16 US disclosed
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-05-10 US disclosed
US-8110701-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-02-07 US disclosed
WO-2011138625-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS RICHTER GEDEON NYRT. (HU) 2011-11-10 WO disclosed
WO-2011138625-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS RICHTER GEDEON NYRT. (HU) 2011-11-10 WO disclosed
WO-2010007253-A2 NOVEL METHOD FOR PREPARING FUNCTIONALIZED BENZOCYCLOBUTENES, AND USE IN THE SYNTHESIS OF IVABRADINE AND OF ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2010-01-21 WO disclosed
US-20100016580-A1 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-01-21 US disclosed
EP-2145871-A1 New method for preparing functionalised benzocyclobutenes and its application to the synthesis of ivabradine and its addition salts with a pharmaceutically acceptable acid. Les Laboratoires Servier (FR) 2010-01-20 EP disclosed
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 US 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-20100016580-A1 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid BDKRB2, HRH2, C1R SMN1; SMN2 3917/4885TRPV1 455/4885CYP3A4 87/4885
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2B6, CYP4F8 SMN1; SMN2 2442/4885TRPV1 218/4885CYP3A4 19/4885

“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.