SCHEMBL463707

SCHEMBL463707

CCCN1CCC(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(OCC(F)(F)F)cn2)=N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.39
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CNR1 P21554 1/20 0.36
CACNA1G O43497 3/20 0.35
CACNA1H O95180 3/20 0.35
CACNA1I Q9P0X4 1/20 0.35
GCGR P47871 3/20 0.35
EPHX2 P34913 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
SCHEMBL412342 0.80 GRM2 (0.41) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL410545 0.77 NPC1 (0.47) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412366 0.76 NPC1 (0.43) CNR2CNR1
SCHEMBL412054 0.75 CNR2 (0.43) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412025 0.75 CNR2 (0.41) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL411538 0.74 ALDH1A1 (0.43) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL9978011 0.73 PTGDR2 (0.46) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412351 0.73 MEN1 (0.45) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412341 0.73 NPC1 (0.53) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412040 0.73 CNR2 (0.45) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885KCNH2 3316/4885SCN5A 3451/4885

“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.