SCHEMBL1968355

SCHEMBL1968355

COc1ccc(CCNC(=O)C(F)(F)F)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 2/20 0.59
GAA P10253 1/20 0.59

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
SCHEMBL21579855 0.92 POLB (0.65) CA12CA1CA2CA9MAPT
SCHEMBL5073509 0.92 MTNR1A (0.56) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6987265 0.91 KMT2A (0.57) CA12CA1CA2CA9MAPT
SCHEMBL16416372 0.88 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL9689182 0.88 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5913864 0.88 CA12 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL10223234 0.87 CA12 (0.68) CA12CA1CA2CA9MAPT
SCHEMBL9786087 0.87 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL7271744 0.87 CA12 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL10558894 0.85 SMN1; SMN2 (0.49) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
EP-2644597-B1 Novel method for synthesising ivabradine and its pharmaceutically acceptable acid addition salts SERVIER LAB (FR) 2016-01-13 EP disclosed
CN-103450082-B The novel method of the additive salt of synthesis of ivabradine and itself and pharmaceutically acceptable acid LABORATOIRES THERWILL (FR) 2015-11-18 CN disclosed
US-8835627-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2014-09-16 US disclosed
US-20130261298-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2013-10-03 US disclosed
WO-2013144500-A1 NOVEL METHOD FOR SYNTHESIZING IVABRADINE AND ITS ADDITION SALTS WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2013-10-03 WO disclosed
EP-2644597-A1 Novel method for synthesising ivabradine and its pharmaceutically acceptable acid addition salts Les Laboratoires Servier (FR) 2013-10-02 EP disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
EP-1150946-B1 ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA GMBH (DE) 2005-03-30 EP disclosed
US-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 US disclosed
EP-0332570-A2 Novel-N-(4-(Aminosubstituted)phenyl) methanesulfonamides and their use as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-13 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-20130261298-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 CA12 3419/4885CA1 3006/4885CA2 586/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 CA12 3489/4885CA1 2155/4885CA2 985/4885

“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.