SCHEMBL4275876

SCHEMBL4275876

CN1CCC(CN2CCN(C(=O)COC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.73
CACNA1B Q00975 4/20 0.73
CACNB1 Q02641 4/20 0.73
CACNA1C Q13936 2/20 0.73
SLC6A3 Q01959 3/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 2/20 0.47
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GRM5 P41594 1/20 0.44
GRM7 Q14831 1/20 0.44

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
SCHEMBL2794421 0.95 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL4279734 0.86 TACR2 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL2795615 0.85 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL3861078 0.84 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CTDP1
SCHEMBL2794338 0.82 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL10335011 0.82 MEN1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL2792145 0.81 CACNA2D1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CCHRM1
SCHEMBL4275822 0.81 CACNA2D1 (0.69) CACNA2D1CACNA1BCACNB1CACNA1CCHRM1
SCHEMBL4286091 0.81 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CGRM7
SCHEMBL4284711 0.81 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3

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 45/4885CACNA1B 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.