SCHEMBL31280

SCHEMBL31280

COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)C=C2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 7/20 0.64
CHRM2 P08172 1/20 0.64
HTR1A P08908 1/20 0.64
SLC6A4 P31645 1/20 0.64
DRD3 P35462 1/20 0.64
KCNH2 Q12809 1/20 0.64
BRD4 O60885 3/20 0.49
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CCL2 P13500 1/20 0.36
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL333491 1.00 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL15858419 1.00 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL30284992 1.00 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL14696912 0.99 HCN4 (0.63) HCN4CHRM2HTR1ASLC6A4DRD3
Oxalic Acid SCHEMBL2594323 0.95 HCN4 (0.59) HCN4CHRM2HTR1ASLC6A4DRD3
Oxalic Acid SCHEMBL2594327 0.95 HCN4 (0.59) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL10022907 0.95 HCN4 (0.58) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL16203194 0.94 HCN4 (0.60) HCN4CHRM2HTR1ASLC6A4DRD3
Nitric Acid SCHEMBL2594562 0.94 HCN4 (0.57) HCN4CHRM2HTR1ASLC6A4DRD3
Nitric Acid SCHEMBL2594567 0.94 HCN4 (0.57) HCN4CHRM2HTR1ASLC6A4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809554-B2 Process for preparing ivabradine OLON S.P.A. (IT) 2017-11-07 US claimed
EP-2999693-B1 A PROCESS FOR PREPARING IVABRADINE OLON SPA (IT) 2017-04-12 EP claimed
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
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-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 EP disclosed
US-9840469-B2 Polymorphic forms of ivabradine hydrochloride CADILA HEALTHCARE LIMITED (IN) 2017-12-12 US disclosed
US-9809554-B2 Process for preparing ivabradine OLON S.P.A. (IT) 2017-11-07 US disclosed
US-9809554-B2 Process for preparing ivabradine OLON S.P.A. (IT) 2017-11-07 US disclosed
US-9809554-B2 Process for preparing ivabradine OLON S.P.A. (IT) 2017-11-07 US disclosed
WO-2017138017-A1 PROCESS FOR THE PREPARATION OF BENZAZEPINE-2-ONE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2017-08-17 WO disclosed
US-20170217898-A1 POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE CADILA HEALTHCARE LTD (IN) 2017-08-03 US disclosed
US-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2011-12-01 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
US-20100179316-A1 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2010-07-15 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
WO-2010072409-A1 PROCESS FOR PREPARATION OF IVABRADINE KRKA, D. D., NOVO MESTO (SI) 2010-07-01 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 HCN4 37/4885CHRM2 2611/4885HTR1A 1678/4885
US-20100179316-A1 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF ADH1C, ADH1A, CYP4F2 HCN4 28/4885CHRM2 485/4885HTR1A 1480/4885
US-20170217898-A1 POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE CYP4F3, CYP4F2, SCN5A HCN4 148/4885CHRM2 347/4885HTR1A 1056/4885

“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.