SCHEMBL4468533

SCHEMBL4468533

CN1CCC(CN2CCC(N(C)C(=O)CC(c3ccccc3)c3ccccc3)C2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.60
CACNA2D1 P54289 1/20 0.59
CACNA1B Q00975 1/20 0.59
CACNB1 Q02641 1/20 0.59
CACNA1C Q13936 1/20 0.59

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
SCHEMBL4468531 1.00 CCR5 (0.60) CCR5CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL13920773 1.00 CCR5 (0.60) CCR5CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4457646 0.89 CCR5 (0.58) CCR5
SCHEMBL4457645 0.89 CCR5 (0.58) CCR5
SCHEMBL5471749 0.86 CACNA2D1 (0.56) CCR5CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5471741 0.86 CACNA2D1 (0.56) CCR5CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4461948 0.82 CCR5 (0.60) CCR5
SCHEMBL4461952 0.82 CCR5 (0.60) CCR5
SCHEMBL13920772 0.82 CCR5 (0.61) CCR5
SCHEMBL4457628 0.77 CCR5 (0.56) CCR5

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 3 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
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 40/4885CACNA1B 1/4885

“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.