SCHEMBL2137989

SCHEMBL2137989

CC(NC(=O)CCOc1ccc(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
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A12 Q96S37 1/20 0.40
IDH1 O75874 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ACACA Q13085 2/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
ACACB O00763 1/20 0.37
ENPP2 Q13822 2/20 0.37

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
SCHEMBL2137983 1.00 CACNA1I (0.65) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138233 0.89 CACNA1I (0.67) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135700 0.89 CACNA1I (0.67) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135691 0.89 CACNA1I (0.67) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL12999605 0.88 CACNA1I (0.66) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL21920424 0.88 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL17240465 0.83 CACNA1I (0.71) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL21823789 0.81 CACNA1I (0.65) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2944945 0.81 CACNA1I (0.65) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2941996 0.81 CACNA1I (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.