SCHEMBL3130145

SCHEMBL3130145

COC(=O)C1Cc2cc(OC)c(OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL548190 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NQO2MTNR1AMTNR1BGAA
SCHEMBL547259 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CA1CA2
SCHEMBL31409460 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CA1CA2
SCHEMBL547261 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CA1CA2
SCHEMBL547260 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CA1CA2
SCHEMBL15188762 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NQO2MTNR1AMTNR1B
SCHEMBL15188760 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NQO2MTNR1AMTNR1B
SCHEMBL15188761 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NQO2MTNR1AMTNR1B
SCHEMBL548183 0.83
SCHEMBL548185 0.83

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4734977-A2 NOVEL TRPV1 AGONISTS AND USES THEREOF Neucures, Inc. (US) 2026-05-06 EP disclosed
WO-2025006675-A9 NOVEL TRPV1 AGONISTS AND USES THEREOF NEUCURES, INC. (US) 2025-03-13 WO disclosed
WO-2025006675-A2 NOVEL TRPV1 AGONISTS AND USES THEREOF NEUCURES, INC. (US) 2025-01-02 WO disclosed
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-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
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