SCHEMBL4465801

SCHEMBL4465801

CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1CCN(C(c2ccccc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.55
CACNA2D1 P54289 9/20 0.54
CACNB1 Q02641 9/20 0.54
CACNA1B Q00975 6/20 0.54
CACNA1C Q13936 6/20 0.54
CACNA1G O43497 1/20 0.54
CACNA1A O00555 3/20 0.53
SLC6A9 P48067 1/20 0.47
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
BCL2 P10415 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL4460215 1.00 CCR5 (0.55) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4460220 1.00 CCR5 (0.55) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4460125 0.93 CCR5 (0.58) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4473810 0.93 CCR5 (0.58) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4460130 0.93 CCR5 (0.58) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4467667 0.91 CACNA2D1 (0.56) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4458722 0.91 CACNA2D1 (0.56) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4458717 0.91 CACNA2D1 (0.56) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4477780 0.89 CACNA2D1 (0.57) CCR5CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4475768 0.89 CACNA2D1 (0.57) CCR5CACNA2D1CACNB1CACNA1BCACNA1C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US claimed
JP-2007518742-A 2007-07-12 JP claimed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 EP claimed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO claimed
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 US claimed
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 EP disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 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-20050165065-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1D CCR5 3482/4885CACNA2D1 40/4885CACNB1 11/4885

“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.