SCHEMBL4471333

SCHEMBL4471333

CN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCN(C(c2ccccc2)c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 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
CYP3A4 P08684 2/20 0.44
CYP3A5 P20815 2/20 0.44
CACNA1A O00555 2/20 0.42
CACNA2D1 P54289 2/20 0.42
CACNB1 Q02641 2/20 0.42
CACNA1C Q13936 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4471335 1.00 CCR5 (0.49) CCR5OPRD1OPRM1OPRK1OPRL1
SCHEMBL4475599 0.91 CCR5 (0.52) CCR5CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4475596 0.91 CCR5 (0.52) CCR5CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4460130 0.90 CCR5 (0.58) CCR5CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4460125 0.90 CCR5 (0.58) CCR5CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4473810 0.90 CCR5 (0.58) CCR5CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4465801 0.84 CCR5 (0.55) CCR5CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4460215 0.84 CCR5 (0.55) CCR5CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4460220 0.84 CCR5 (0.55) CCR5CACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL4477623 0.84 CCR5 (0.49) CCR5OPRD1OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.