SCHEMBL2941996

SCHEMBL2941996

C[C@@H](NC(=O)C[C@H](NC(=O)O)c1ccc(Cl)cc1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.65
CACNA1G O43497 2/20 0.65
CACNA1H O95180 2/20 0.65
CNR2 P34972 1/20 0.65
KCNH2 Q12809 1/20 0.65
KMT2A Q03164 4/20 0.42
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
MEN1 O00255 3/20 0.39
SLC22A12 Q96S37 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
UBE2N P61088 1/20 0.37
IDH1 O75874 2/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
ACACB O00763 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35

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
SCHEMBL2944945 1.00 CACNA1I (0.65) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL21823789 1.00 CACNA1I (0.65) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL16982749 0.91 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL16982745 0.91 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL21823853 0.91 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL18311377 0.91 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL10253275 0.89 CACNA1I (0.61) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL17240435 0.83 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL17240398 0.83 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135691 0.83 CACNA1I (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 WO 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-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 WO 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 (1 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-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.