SCHEMBL2136592

SCHEMBL2136592

COc1ccc2[nH]cc(C(=O)NC(C)c3ccc(OCC(F)(F)F)cn3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.51
CACNA1G O43497 2/20 0.51
CACNA1H O95180 2/20 0.51
CNR2 P34972 1/20 0.51
KCNH2 Q12809 1/20 0.51
TRPV1 Q8NER1 3/20 0.49
NR4A2 P43354 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
CPT1A P50416 1/20 0.45
HTR4 Q13639 4/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL2136581 1.00 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL21823920 0.93 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL21823918 0.93 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2133757 0.91 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138008 0.91 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2137997 0.91 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2133762 0.91 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138059 0.90 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138069 0.90 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2133696 0.88 CACNA1I (0.53) 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.