SCHEMBL412342

SCHEMBL412342

CCCn1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(OCC(F)(F)F)cn2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
CNR2 P34972 6/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CACNA1G O43497 2/20 0.37
CACNA1H O95180 2/20 0.37
AR P10275 2/20 0.36
GCGR P47871 4/20 0.36
EPHX2 P34913 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
CNR1 P21554 2/20 0.36
MAPT P10636 1/20 0.35
CACNA1I Q9P0X4 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
SCHEMBL410558 0.83 CNR1 (0.52) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL463707 0.80 CNR2 (0.39) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412366 0.79 NPC1 (0.43) CNR2CNR1MAPT
SCHEMBL412054 0.78 CNR2 (0.43) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412025 0.78 CNR2 (0.41) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL410545 0.78 NPC1 (0.47) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412351 0.77 MEN1 (0.45) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL412028 0.76 CNR2 (0.45) CNR2CNR1
SCHEMBL411538 0.75 ALDH1A1 (0.43) CNR2KCNH2SCN5ASCN2ASCN10A
SCHEMBL9978011 0.75 PTGDR2 (0.46) GRM2CNR2KCNH2SCN5ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (2 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR GRM2 2220/4885CNR2 435/4885KCNH2 3316/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR GRM2 2220/4885CNR2 435/4885KCNH2 3316/4885

“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.