Ivabradine

Ivabradine

SCHEMBL333201

COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@@H]1Cc3cc(OC)c(OC)cc31)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HCN4

The experimentally established mechanism targets of Ivabradine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCN4 known ✓ Q9Y3Q4 3/20 1.00
CHRM2 P08172 1/20 1.00
HTR1A P08908 1/20 1.00
SLC6A4 P31645 1/20 1.00
DRD3 P35462 1/20 1.00
KCNH2 Q12809 1/20 1.00
MAPT P10636 1/20 0.64
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCB1 P08183 1/20 0.39
KCNN2 Q9H2S1 4/20 0.39
KCNN3 Q9UGI6 4/20 0.39
BRD4 O60885 2/20 0.39
KCNN1 Q92952 2/20 0.39

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
Ivabradine SCHEMBL23472 1.00 HCN4 (1.00) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL29687794 1.00 HCN4 (1.00) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL29387763 1.00 HCN4 (1.00) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL5163239 1.00 HCN4 (1.00) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL333200 1.00 HCN4 (1.00) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL2589476 0.99 HCN4 (0.98) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL29465192 0.99 HCN4 (0.98) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL1032017 0.99 HCN4 (0.98) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL2821678 0.99 HCN4 (0.98) HCN4CHRM2HTR1ASLC6A4DRD3
Ivabradine SCHEMBL29561458 0.99 HCN4 (0.98) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296482-A (Benzocycloalkyl) alkylamines ADIR ET COMPAGNIE (FR) 1994-03-22 US claimed
JP-5213890-A None JP disclosed
US-8415468-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2013-04-09 US disclosed
US-8097720-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid Les Laboratories Server (FR) 2012-01-17 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
US-20100160628-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-06-24 US disclosed
US-5296482-A (Benzocycloalkyl) alkylamines ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
JP-H05213890-A NEW (BENZOCYCLOALKYL) ALKYLAMINE COMPOUND ADIR 1993-08-24 JP 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-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-20100160628-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

“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.