SCHEMBL4272736

SCHEMBL4272736

CN1CCC(C(=O)N2CCN(C(=O)CNC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.49
CACNA1B Q00975 4/20 0.49
CACNB1 Q02641 4/20 0.49
CACNA1C Q13936 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GRM7 Q14831 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
CHRM3 P20309 1/20 0.43

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
SCHEMBL2796613 0.96 ALDH1A1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4286091 0.84 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2792966 0.82 ALDH1A1 (0.44) ALDH1A1GRM7CNR1CNR2
SCHEMBL2796736 0.79 TDP1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2796224 0.78 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4270388 0.78 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL11892988 0.77 ALDH1A1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4271679 0.76 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2792145 0.75 CACNA2D1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2794491 0.75 GRM7 (0.47) GRM7KDM1AMAOB

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 45/4885CACNA1B 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.