SCHEMBL4273028

SCHEMBL4273028

CNC(C(=O)N1CCN(C(c2ccccc2)C2CCN(C)CC2)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.62
CACNA1B Q00975 6/20 0.62
CACNB1 Q02641 6/20 0.62
CACNA1C Q13936 5/20 0.62
CHRM3 P20309 4/20 0.49
CHRM1 P11229 5/20 0.42
F10 P00742 3/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4279752 0.94 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL4270399 0.83 CHRM3 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL4281025 0.80 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL4278107 0.80 KMT2A (0.60) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4278770 0.79 CHRM3 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL3393961 0.78 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL2791280 0.76 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL4273985 0.74 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CCHRM1
SCHEMBL4273013 0.74 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2792371 0.74 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3

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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US claimed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP claimed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO claimed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 CACNA2D1 45/4885CACNA1B 5/4885CACNB1 18/4885

“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.