SCHEMBL7929913

SCHEMBL7929913

COc1cc2c(cc1OC)[C@@H](N)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
MAPT P10636 1/20 0.48
ADRA1A P35348 1/20 0.45
MAOA P21397 3/20 0.44
TSHR P16473 1/20 0.44
RAD52 P43351 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 1/20 0.42
DRD5 P21918 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
CA7 P43166 1/20 0.41

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
SCHEMBL8276942 1.00 CYP3A4 (0.48) CYP3A4MAPTADRA1AMAOATSHR
SCHEMBL7936406 1.00 CYP3A4 (0.48) CYP3A4MAPTADRA1AMAOATSHR
Hydrochloric Acid SCHEMBL15664148 0.98 CYP3A4 (0.46) CYP3A4MAPTADRA1AMAOATSHR
SCHEMBL28046681 0.80 CA1 (0.54) CYP3A4MAPTMAOATSHRRAD52
SCHEMBL355553 0.80 CA1 (0.54) CYP3A4MAPTMAOATSHRRAD52
Hydrochloric Acid SCHEMBL17910635 0.79 CA1 (0.53) CYP3A4MAOATSHRRAD52CA1
SCHEMBL1748257 0.77 CHRNA7 (0.48) CYP3A4MAPTMAOATSHRRAD52
SCHEMBL4565692 0.77 ACHE (0.56) CYP3A4MAPTMAOATSHRRAD52
SCHEMBL3159301 0.77 ACHE (0.56) CYP3A4MAPTMAOATSHRRAD52
Hydrochloric Acid SCHEMBL10557112 0.76 DRD5 (0.46) CYP3A4MAPTMAOATSHRRAD52

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
EP-2166004-B1 New method for resolution of enantiomers of (3,4-dimethoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)nitrile and their application to the synthesis of ivabradine SERVIER LAB (FR) 2010-10-06 EP disclosed
EP-2166004-A1 New method for resolution of enantiomers of (3,4-dimethoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)nitrile and their application to the synthesis of ivabradine Les Laboratoires Servier (FR) 2010-03-24 EP disclosed
WO-2010023383-A1 NOVEL METHOD FOR RESOLVING THE ENANTIOMERS OF (3,4-DIMETHOXY­BICYCLO[4.2.0]OCTA-13,5-TRIEN-7-YL)NITRILE AND USE IN THE SYNTHESIS OF IVABRADINE LES LABORATOIRES SERVIER (FR) 2010-03-04 WO disclosed
US-20100056778-A1 Process for the resolution of enantiomers of (3,4-dimethoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-yl) nitrile and application in the synthesis of ivabradine LES LABORATOIRES SERVIER (FR) 2010-03-04 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 (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-20100056778-A1 Process for the resolution of enantiomers of (3,4-dimethoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-yl) nitrile and application in the synthesis of ivabradine HCN4, NISCH, SCN5A CYP3A4 9/4885MAPT 4569/4885ADRA1A 116/4885

“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.