SCHEMBL4273979

SCHEMBL4273979

CN(CC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 12/20 0.71
CACNB1 Q02641 12/20 0.71
CACNA1B Q00975 11/20 0.71
CACNA1G O43497 7/20 0.70
CACNA1C Q13936 6/20 0.70
CACNA1A O00555 1/20 0.69
GPX4 P36969 1/20 0.60
CACNA1H O95180 1/20 0.57
DPP8 Q6V1X1 1/20 0.55

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
SCHEMBL4276368 0.93 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL4286412 0.90 CACNA2D1 (0.73) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL4273004 0.88 CACNA2D1 (0.70) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL4273982 0.86 CACNA2D1 (0.72) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL5544042 0.83 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL5266301 0.83 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL4179713 0.83 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL5268519 0.83 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL13701482 0.81 CACNA2D1 (0.74) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL7665618 0.79 NPC1 (0.78) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C

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 7 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
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 CACNA2D1 45/4885CACNB1 18/4885CACNA1B 5/4885

“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.