SCHEMBL17240447

SCHEMBL17240447

CC(NC(=O)CCc1c[nH]c2cc(F)ccc12)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.45
CACNA1I Q9P0X4 3/20 0.41
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
CNR2 P34972 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR139 Q6DWJ6 2/20 0.40
MAPT P10636 1/20 0.39
ENPP2 Q13822 1/20 0.39
MPO P05164 2/20 0.39
CDK2 P24941 1/20 0.39
HTR2A P28223 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
GOT1 P17174 1/20 0.38
ADAM17 P78536 1/20 0.38

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
SCHEMBL2134592 0.84 CACNA1I (0.52) TRPV1CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2134601 0.84 CACNA1I (0.52) TRPV1CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2137734 0.79 ACACA (0.48) TRPV1CACNA1ICACNA1GCACNA1HMPO
SCHEMBL2137727 0.79 ACACA (0.48) TRPV1CACNA1ICACNA1GCACNA1HMPO
SCHEMBL2140953 0.79 CACNA1I (0.55) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2140958 0.79 CACNA1I (0.55) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138864 0.76 MAPT (0.50) MAPT
SCHEMBL2138867 0.76 MAPT (0.50) MAPT
SCHEMBL2138020 0.74 SIRT2 (0.56) MAPT
SCHEMBL2138030 0.74 SIRT2 (0.56) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 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-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H TRPV1 42/4885CACNA1I 1/4885CACNA1G 2/4885

“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.