SCHEMBL2939683

SCHEMBL2939683

C[C@@H](N[S@+]([O-])C(C)(C)C)c1ccc(OCC2CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.45
ACACA Q13085 3/20 0.42
CACNA1I Q9P0X4 2/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MCHR1 Q99705 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
SCHEMBL21823924 1.00 ACACB (0.45) ACACBACACACACNA1ICACNA1GCACNA1H
SCHEMBL2939680 1.00 ACACB (0.45) ACACBACACACACNA1ICACNA1GCACNA1H
SCHEMBL30703525 0.81 CACNA1I (0.35) ACACBCACNA1ICACNA1GCACNA1HCYP4F2
SCHEMBL28781905 0.81 CACNA1I (0.47) CACNA1ICACNA1GCACNA1H
SCHEMBL1064478 0.81 CACNA1I (0.47) CACNA1ICACNA1GCACNA1H
SCHEMBL28781906 0.81 CACNA1I (0.47) CACNA1ICACNA1GCACNA1H
SCHEMBL1063142 0.81 CACNA1I (0.51) ACACBCACNA1ICACNA1GCACNA1H
SCHEMBL2134252 0.80 CACNA1I (0.34) ACACBCACNA1ICACNA1GCACNA1H
SCHEMBL2134255 0.80 CACNA1I (0.34) ACACBCACNA1ICACNA1GCACNA1H
SCHEMBL15351146 0.79 CNR2 (0.36)

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-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
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
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 ACACB 2402/4885ACACA 1599/4885CACNA1I 1/4885

“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.