SCHEMBL2134252

SCHEMBL2134252

C[C@@H](N[S+]([O-])C(C)(C)C)c1ccc(OCC2(C)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.34
ACACB O00763 2/20 0.34
CACNA1G O43497 2/20 0.33
CACNA1H O95180 2/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL2134255 1.00 CACNA1I (0.34) CACNA1IACACBCACNA1GCACNA1HCNR2
SCHEMBL30703526 0.95 CACNA1I (0.33) CACNA1IACACBCACNA1GCACNA1HCNR2
SCHEMBL30703525 0.84 CACNA1I (0.35) CACNA1IACACBCACNA1GCACNA1HCNR2
SCHEMBL2939680 0.80 ACACB (0.45) CACNA1IACACBCACNA1GCACNA1H
SCHEMBL21823924 0.80 ACACB (0.45) CACNA1IACACBCACNA1GCACNA1H
SCHEMBL2939683 0.80 ACACB (0.45) CACNA1IACACBCACNA1GCACNA1H
SCHEMBL28781905 0.80 CACNA1I (0.47) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1064478 0.80 CACNA1I (0.47) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL28781906 0.80 CACNA1I (0.47) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063142 0.80 CACNA1I (0.51) CACNA1IACACBCACNA1GCACNA1HCNR2

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
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 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
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 (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 1/4885ACACB 2424/4885CACNA1G 2/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CACNA1I 1/4885ACACB 2402/4885CACNA1G 2/4885

“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.