SCHEMBL2135167

SCHEMBL2135167

CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.53
CACNA1G O43497 2/20 0.53
CACNA1H O95180 2/20 0.53
CNR2 P34972 1/20 0.53
KCNH2 Q12809 1/20 0.53
PYGL P06737 11/20 0.49
ALOX15 P16050 1/20 0.46
EGFR P00533 1/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2135158 1.00 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138451 0.93 ALOX15 (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138444 0.93 ALOX15 (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2133424 0.90 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL10288935 0.90 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135607 0.90 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL17240450 0.90 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2136701 0.90 KDM4E (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2136698 0.90 KDM4E (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2133413 0.90 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2

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
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
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 (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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CACNA1I 1/4885CACNA1G 2/4885CACNA1H 3/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CACNA1I 1/4885CACNA1G 2/4885CACNA1H 3/4885

“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.