SCHEMBL2137169

SCHEMBL2137169

CC(NC(=O)c1cccc(Oc2ccccn2)c1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.50
CACNA1G O43497 2/20 0.50
CACNA1H O95180 2/20 0.50
CNR2 P34972 1/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACA Q13085 1/20 0.40
PPARG P37231 1/20 0.40
ACACB O00763 1/20 0.39
LOX P28300 4/20 0.39
LOXL2 Q9Y4K0 4/20 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
SCHEMBL2137154 1.00 CACNA1I (0.50) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2137267 0.90 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2141144 0.90 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2137259 0.90 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2135170 0.89 CACNA1I (0.59) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2140202 0.89 CACNA1I (0.59) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2139088 0.89 CACNA1I (0.59) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2137046 0.86 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2137040 0.86 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2136352 0.85 CACNA1I (0.55) 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
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-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 (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-20120101105-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.