SCHEMBL5030264

SCHEMBL5030264

CC(C)N(C)[C@H]1CC[C@H](NC(=O)CNc2ncnc3ccc(Cl)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 19/20 0.53
CCR2 P41597 1/20 0.49
CCR5 P51681 1/20 0.49

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
SCHEMBL5030259 1.00 CCRL2 (0.53) CCRL2CCR2CCR5
SCHEMBL5030415 0.83 CCR2 (0.52) CCRL2CCR2CCR5
SCHEMBL5030409 0.83 CCR2 (0.52) CCRL2CCR2CCR5
SCHEMBL5029521 0.80 CCR2 (0.41) CCRL2CCR2
SCHEMBL5029520 0.80 CCR2 (0.41) CCRL2CCR2
SCHEMBL5029106 0.75 CCRL2 (0.68) CCRL2
SCHEMBL5029582 0.74 CCRL2 (0.61) CCRL2CCR2CCR5
SCHEMBL5029121 0.73 CCRL2 (0.50) CCRL2
SCHEMBL5029605 0.72 CCR2 (0.63) CCRL2CCR2CCR5
SCHEMBL5029600 0.72 CCR2 (0.63) CCRL2CCR2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCRL2 15/4885CCR2 3/4885CCR5 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.