SCHEMBL2138444

SCHEMBL2138444

C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.56
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
PDE2A O00408 2/20 0.42
PYGL P06737 2/20 0.41
PDGFRB P09619 1/20 0.41
FLT3 P36888 1/20 0.41
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
B3GNT2 Q9NY97 1/20 0.40
PRCP P42785 1/20 0.39

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
SCHEMBL2138451 1.00 ALOX15 (0.56) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2135167 0.93 CACNA1I (0.53) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2135158 0.93 CACNA1I (0.53) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2136567 0.90 CACNA1I (0.52) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2944911 0.90 CACNA1I (0.52) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2135673 0.90 CACNA1I (0.52) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2135657 0.90 CACNA1I (0.52) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2944914 0.90 CACNA1I (0.52) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2136555 0.90 CACNA1I (0.52) ALOX15CACNA1ICACNA1GCACNA1HCNR2
SCHEMBL2138142 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 10 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-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-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 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
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 ALOX15 4360/4885CACNA1I 1/4885CACNA1G 2/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALOX15 4363/4885CACNA1I 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.