SCHEMBL4284835

SCHEMBL4284835

O=C(CNc1cc(Cl)cc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 11/20 0.67
CACNB1 Q02641 11/20 0.67
CACNA1B Q00975 10/20 0.67
CACNA1C Q13936 5/20 0.59
CACNA1G O43497 5/20 0.59
CACNA1A O00555 1/20 0.58
CACNA1H O95180 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
GPX4 P36969 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL4271703 0.91 CACNA2D1 (0.66) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4273386 0.89 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4274014 0.87 CACNA2D1 (0.65) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4279868 0.85 CACNA2D1 (0.59) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4271451 0.85 KMT2A (0.60) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4284632 0.81 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4279084 0.81 CACNA2D1 (0.58) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4278891 0.81 CACNA2D1 (0.70) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5266814 0.80 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL8239746 0.78 CACNA2D1 (0.56) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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
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

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.