SCHEMBL383304

SCHEMBL383304

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 2/20 0.69
CHRM2 P08172 1/20 0.69
HTR1A P08908 1/20 0.69
SLC6A4 P31645 1/20 0.69
DRD3 P35462 1/20 0.69
KCNH2 Q12809 1/20 0.69
MAPT P10636 1/20 0.52
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
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
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.38
PGK1 P00558 1/20 0.38

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
SCHEMBL29316696 1.00 HCN4 (0.69) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL9427546 1.00 HCN4 (0.69) HCN4CHRM2HTR1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL384928 0.99 HCN4 (0.68) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL8372895 0.94 HCN4 (0.61) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL8370922 0.94 HCN4 (0.61) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL15858396 0.93 HCN4 (0.61) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL14813392 0.91 HCN4 (0.68) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL14696921 0.91 HCN4 (0.68) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL9427688 0.91 HCN4 (0.68) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL13155011 0.90 HCN4 (0.58) 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-8101747-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-01-24 US disclosed
US-8101747-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-01-24 US disclosed
EP-2241554-B1 Process for the synthesis of ivabradine and its pharmaceutically acceptable acid addition salts SERVIER LAB (FR) 2011-09-07 EP disclosed
EP-2241554-A1 Process for the synthesis of ivabradine and its pharmaceutically acceptable acid addition salts Les Laboratoires Servier (FR) 2010-10-20 EP disclosed
WO-2010112704-A1 NOVEL METHOD FOR THE SYNTHESIS OF IVABRADINE AND THE ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2010-10-07 WO disclosed
US-20100249397-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-09-30 US disclosed
US-20100249397-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-09-30 US disclosed
WO-2009158005-A1 BENZAZEPINONE COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2009-12-30 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 (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-20100249397-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.