SCHEMBL4746590

SCHEMBL4746590

COc1cc2c(cc1C)C(CCN)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
NQO2 P16083 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
SLC6A4 P31645 8/20 0.36
SLC6A2 P23975 7/20 0.36
SLC6A3 Q01959 6/20 0.36
KDM4C Q9H3R0 1/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
DRD5 P21918 1/20 0.35

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
SCHEMBL4746611 1.00 TAAR1 (0.42) TAAR1NQO2MTNR1AMTNR1BSLC6A4
SCHEMBL15158492 0.94 NQO2 (0.43) TAAR1NQO2MTNR1AMTNR1BSLC6A4
SCHEMBL3143094 0.89 NQO2 (0.43) NQO2MTNR1AMTNR1BSLC6A4CHRM2
SCHEMBL537790 0.89 NQO2 (0.43) NQO2MTNR1AMTNR1BSLC6A4CHRM2
SCHEMBL3162728 0.89 NQO2 (0.43) NQO2MTNR1AMTNR1BSLC6A4CHRM2
SCHEMBL15180378 0.87 TAAR1 (0.41) TAAR1NQO2MTNR1AMTNR1BSLC6A4
SCHEMBL3163151 0.87 TAAR1 (0.41) TAAR1NQO2MTNR1AMTNR1BSLC6A4
Hydrochloric Acid SCHEMBL9427134 0.87 KCNN2 (0.42) NQO2MTNR1AMTNR1BDRD5
SCHEMBL14845340 0.82 HTR2A (0.43) TAAR1NQO2MTNR1AMTNR1BSLC6A4
SCHEMBL15158458 0.81 NQO2 (0.41) TAAR1NQO2MTNR1AMTNR1BSLC6A4

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-8476426-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2013-07-02 US 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-8288581-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-10-16 US disclosed
US-8278440-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-10-02 US disclosed
US-20120208996-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-08-16 US disclosed
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-05-10 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-20110201805-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2011-08-18 US 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 (4 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-20110201805-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid CYP4F2, CYP2F1, CYP2D6 TAAR1 2732/4885NQO2 553/4885MTNR1A 2929/4885
US-20120208996-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 TAAR1 2732/4885NQO2 553/4885MTNR1A 2929/4885
US-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 TAAR1 2732/4885NQO2 553/4885MTNR1A 2929/4885
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2B6, CYP4F8 TAAR1 1641/4885NQO2 1201/4885MTNR1A 3741/4885

“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.