SCHEMBL8270902

SCHEMBL8270902

O=CCCN1CCc2cc(CO)c(CO)cc2CC1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 2/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2C19 P33261 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL15044202 0.92 HCN4 (0.39) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL8277872 0.86 ACHE (0.43) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL12462421 0.83 SMN1; SMN2 (0.40) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL15180368 0.81 HCN4 (0.42) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL8373923 0.81 KMT2A (0.36) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL333767 0.80 GAA (0.61) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL8360852 0.77 HCN4 (0.40) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL15043264 0.77 HCN4 (0.35) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL15044211 0.76 HCN4 (0.39) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL15047160 0.72 HCN4 (0.58) HCN4MAPTGAASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507668-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2013-08-13 US disclosed
US-20130158257-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2013-06-20 US disclosed
EP-2135861-A1 Process for the synthesis of the 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, and its application to the synthesis of ivabradine as well as its addition salts with a pharmaceutically acceptable acid Les Laboratoires Servier (FR) 2009-12-23 EP disclosed
EP-1614687-B1 Process for the preparation of 1,3,4,5-tetrahydro-2H-3-benzazepin-2-one derivatives and their application in the synthesis of ivabradine and its pharmaceutically acceptable salts SERVIER LAB (FR) 2009-11-11 EP disclosed
WO-2005111026-A1 NOVEL METHOD OF SYNTHESISING 1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE DERIVATIVES AND USE THEREOF IN THE SYNTHESIS OF IVABRADINE AND THE SALTS THEREOF FOR ADDITION TO A PHARMACEUTICALLY ACCEPTABLE ACID LES LABOIRATOIRES SERVIER (FR) 2005-11-24 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-20130158257-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 HCN4 16/4885MAPT 4204/4885GAA 995/4885

“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.