SCHEMBL4279752

SCHEMBL4279752

CNC(C(=O)N1CCN(C(c2ccc(F)cc2)C2CCN(C)CC2)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.66
CACNA1B Q00975 6/20 0.66
CACNB1 Q02641 6/20 0.66
CACNA1C Q13936 5/20 0.66
CHRM3 P20309 3/20 0.44
CCR1 P32246 1/20 0.40
CHRM1 P11229 3/20 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
SCHEMBL4273028 0.94 CACNA2D1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL4273013 0.82 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3394375 0.81 CACNA2D1 (0.70) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4270399 0.78 CHRM3 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL2792554 0.77 CACNA2D1 (0.64) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL4279749 0.77 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL4279744 0.76 CACNA2D1 (0.77) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2797186 0.76 CACNA2D1 (0.92) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4281025 0.75 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL4278107 0.75 KMT2A (0.60) CACNA2D1CACNA1BCACNB1CACNA1C

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.