SCHEMBL2138403

SCHEMBL2138403

Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.51
CACNA1G O43497 2/20 0.51
CACNA1H O95180 2/20 0.51
CNR2 P34972 1/20 0.51
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 7/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.46
PIN1 Q13526 5/20 0.46
PDE2A O00408 1/20 0.43
DGAT1 O75907 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.42
GABRA5 P31644 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL2138409 1.00 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135180 0.91 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135183 0.91 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL17251781 0.89 CACNA1I (0.49) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2141155 0.84 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2141160 0.84 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2139041 0.83 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2139024 0.83 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2137811 0.79 CACNA1I (0.48) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL18311369 0.79 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 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.