SCHEMBL2136754

SCHEMBL2136754

COc1ccc(C(C)NC(=O)COc2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.54
CACNA1G O43497 2/20 0.47
CACNA1H O95180 2/20 0.47
CNR2 P34972 1/20 0.47
KCNH2 Q12809 1/20 0.47
HSD17B10 Q99714 1/20 0.43
GPR139 Q6DWJ6 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
PARP1 P09874 1/20 0.41
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL2136747 1.00 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135196 0.90 CACNA1I (0.60) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135214 0.90 CACNA1I (0.60) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2132368 0.88 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2132373 0.88 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2143139 0.84 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2143148 0.84 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2143523 0.84 CACNA1I (0.61) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2143533 0.84 CACNA1I (0.61) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL21823927 0.84 CACNA1I (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
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.