SCHEMBL3796360

SCHEMBL3796360

COc1cc2c(cc1OC)C(CI)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
HCN4 Q9Y3Q4 1/20 0.41
RAD52 P43351 1/20 0.41
KCNN2 Q9H2S1 3/20 0.40

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
SCHEMBL14828507 1.00 CYP3A4 (0.43) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL14828500 1.00 CYP3A4 (0.43) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL15180363 0.83 HTR2A (0.47) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL15432201 0.83 HTR2A (0.47) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL7436614 0.81 CYP3A4 (0.43) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL7911834 0.81 CYP3A4 (0.43) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL31936524 0.81 CYP3A4 (0.43) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL3801546 0.81 NQO2 (0.44) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL383341 0.81 CYP3A4 (0.43) CYP3A4MAPTNQO2MTNR1AMTNR1B
SCHEMBL31549 0.81 CYP3A4 (0.43) CYP3A4MAPTNQO2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2393784-A1 NOVEL METHOD FOR THE SYNTHESIS OF IVABRADINE AND THE PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF Les Laboratoires Servier (FR) 2011-12-14 EP 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-2010089475-A1 NOVEL METHOD FOR THE SYNTHESIS OF IVABRADINE AND THE PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2010-08-12 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-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 CYP3A4 15/4885MAPT 4588/4885NQO2 553/4885

“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.