SCHEMBL4273992

SCHEMBL4273992

CNC(C(=O)N1CCN(C(c2ccccc2)c2ccccc2Cl)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 7/20 0.61
CACNA1B Q00975 7/20 0.61
CACNB1 Q02641 7/20 0.61
CACNA1C Q13936 3/20 0.61
CACNA1G O43497 2/20 0.60
CNR1 P21554 10/20 0.55
CNR2 P34972 6/20 0.54
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48

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
SCHEMBL4278107 0.88 KMT2A (0.60) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL4273985 0.86 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL4286421 0.83 CACNA2D1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL4273013 0.81 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL4243353 0.77 OPRM1 (0.68) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3396514 0.76 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL5266144 0.75 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL8620125 0.73 CACNA2D1 (0.63) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL4273986 0.73 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL4270399 0.72 CHRM3 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCNR1

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.