SCHEMBL4477623

SCHEMBL4477623

CN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCN(C(c2ccccc2)c2ccccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.49
OPRD1 P41143 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
CHRM2 P08172 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 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
SCHEMBL4477626 1.00 CCR5 (0.49) CCR5OPRD1OPRM1OPRK1OPRL1
SCHEMBL4477634 1.00 CCR5 (0.49) CCR5OPRD1OPRM1OPRK1OPRL1
SCHEMBL4460130 0.88 CCR5 (0.58) CCR5ALDH1A1
SCHEMBL4473810 0.88 CCR5 (0.58) CCR5ALDH1A1
SCHEMBL4460125 0.88 CCR5 (0.58) CCR5ALDH1A1
SCHEMBL4475596 0.86 CCR5 (0.52) CCR5
SCHEMBL4475599 0.86 CCR5 (0.52) CCR5
SCHEMBL4471333 0.84 CCR5 (0.49) CCR5OPRD1OPRM1OPRK1OPRL1
SCHEMBL4471335 0.84 CCR5 (0.49) CCR5OPRD1OPRM1OPRK1OPRL1
SCHEMBL4460220 0.82 CCR5 (0.55) CCR5CHRM2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3482/4885OPRD1 292/4885OPRM1 592/4885

“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.