SCHEMBL2825463

SCHEMBL2825463

CNCC1(c2ccc(OC)c(OC)c2)CCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.68
GAA P10253 1/20 0.68
TSHR P16473 1/20 0.64
SLC6A4 P31645 9/20 0.59
SLC6A3 Q01959 9/20 0.59
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC6A2 P23975 5/20 0.54
LMNA P02545 1/20 0.52
G6PD P11413 1/20 0.52
HTT P42858 1/20 0.51

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
Hydrochloric Acid SCHEMBL15319722 0.98 CASP1 (0.70) CASP1GAATSHRSLC6A4SLC6A3
SCHEMBL9268505 0.97 CASP1 (0.72) CASP1GAATSHRSLC6A4SLC6A3
SCHEMBL9260694 0.95 CASP1 (0.70) CASP1GAATSHRSLC6A4SLC6A3
SCHEMBL35210483 0.94 CASP1 (0.62) CASP1GAATSHRSLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9427976 0.79 CASP1 (0.61) CASP1GAATSHRSLC6A4SLC6A3
SCHEMBL9266491 0.79 CASP1 (0.64) CASP1GAATSHRSLC6A4SLC6A3
SCHEMBL9427449 0.79 SLC6A4 (0.58) SLC6A4SLC6A3KMT2ASLC6A2
SCHEMBL557875 0.78 CASP1 (0.62) CASP1GAATSHRSLC6A4SLC6A3
SCHEMBL13896774 0.78 CASP1 (0.67) CASP1GAATSHRSLC6A4SLC6A3
SCHEMBL11220215 0.78 CASP1 (0.62) CASP1GAATSHRSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019202611-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS METROCHEM API PVT (IN) 2019-10-24 WO claimed
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
WO-2015022702-A3 PROCESS FOR PREPARATION OF 4,5-DIMETHOXYBENZENE DERIVATIVES AND USE IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2015-04-09 WO disclosed
WO-2015022702-A2 PROCESS FOR PREPARATION OF 4,5-DIMETHOXYBENZENE DERIVATIVES AND USE IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2015-02-19 WO disclosed
EP-2471780-B1 Crystalline Ivabradine Oxalate Salts and Polymorphs Thereof IND SWIFT LAB LTD (IN) 2014-11-26 EP disclosed
EP-2471780-A1 Crystalline Ivabradine Oxalate Salts and Polymorphs Thereof Ind-Swift Laboratories Limited (IN) 2012-07-04 EP disclosed
US-8212026-B2 Process for the preparation of ivabradine hydrochloride and polymorph thereof IND-SWIFT LABORATORIES LIMITED (US) 2012-07-03 US disclosed
US-20100179316-A1 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2010-07-15 US disclosed
EP-2162438-A2 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF Ind-Swift Laboratories Limited (IN) 2010-03-17 EP disclosed
WO-2008146308-A9 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF IND SWIFT LAB LTD (IN) 2009-01-15 WO disclosed
WO-2008146308-A2 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2008-12-04 WO disclosed
US-5405866-A Administering with cytostatic drugs to treat drug resistant tumors HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
US-5302727-A For use with antitumor agents HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5296482-A (Benzocycloalkyl) alkylamines ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
EP-0523493-A1 Dithianes F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 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 (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-20100179316-A1 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF ADH1C, ADH1A, CYP4F2 CASP1 4565/4885GAA 1874/4885TSHR 2818/4885

“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.