SCHEMBL2134063

SCHEMBL2134063

C[C@@H](NC(=O)C1CC1c1ccc2ccn(C)c2c1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.52
CACNA1G O43497 2/20 0.52
CACNA1H O95180 2/20 0.52
KCNH2 Q12809 2/20 0.47
CNR2 P34972 1/20 0.47
IDH1 O75874 2/20 0.39
IDO1 P14902 1/20 0.39
CHRNA7 P36544 4/20 0.38
ACACA Q13085 1/20 0.36
ACACB O00763 3/20 0.36
FFAR1 O14842 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL2134057 1.00 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL21593159 1.00 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL17240462 0.89 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL16982743 0.89 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL10252964 0.89 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL2132767 0.88 ACACB (0.46) CACNA1ICACNA1GCACNA1HCHRNA7ACACA
SCHEMBL2132763 0.88 ACACB (0.46) CACNA1ICACNA1GCACNA1HCHRNA7ACACA
SCHEMBL21593146 0.85 CHRNA7 (0.51) CACNA1ICACNA1GCACNA1HIDH1IDO1
SCHEMBL2137588 0.85 CHRNA7 (0.51) CACNA1ICACNA1GCACNA1HIDH1IDO1
SCHEMBL2137595 0.85 CHRNA7 (0.51) CACNA1ICACNA1GCACNA1HIDH1IDO1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP claimed
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 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.