SCHEMBL2143148

SCHEMBL2143148

COc1ccc(C(C)NC(=O)COc2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.53
CACNA1G O43497 2/20 0.46
CACNA1H O95180 2/20 0.46
CNR2 P34972 1/20 0.46
KCNH2 Q12809 1/20 0.46
GPR139 Q6DWJ6 7/20 0.46
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACACA Q13085 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SYK P43405 1/20 0.42
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL2143139 1.00 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2139549 0.90 CACNA1I (0.59) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2139541 0.90 CACNA1I (0.59) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138260 0.88 CACNA1I (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138271 0.88 CACNA1I (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2136747 0.84 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2136754 0.84 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL21600606 0.80 CACNA1I (0.47) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2136976 0.79 CACNA1I (0.60) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2136264 0.79 CACNA1I (0.60) 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.