SCHEMBL5033622

SCHEMBL5033622

CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNc2ncnc3ccc(C(F)(F)F)cc23)[C@@H](CS(=O)(=O)C(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 14/20 0.58
CCR2 P41597 6/20 0.55
CCR5 P51681 5/20 0.55
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
KCNH2 Q12809 1/20 0.52
CYP2D6 P10635 1/20 0.51

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
SCHEMBL5033619 1.00 CCRL2 (0.58) CCRL2CCR2CCR5CHRM2CHRM4
SCHEMBL5029600 0.89 CCR2 (0.63) CCRL2CCR2CCR5CHRM2CHRM4
SCHEMBL5029605 0.89 CCR2 (0.63) CCRL2CCR2CCR5CHRM2CHRM4
SCHEMBL5031962 0.88 CCRL2 (0.55) CCRL2
SCHEMBL5031959 0.88 CCRL2 (0.55) CCRL2
SCHEMBL5029582 0.87 CCRL2 (0.61) CCRL2CCR2CCR5CHRM2CHRM4
SCHEMBL5027181 0.87 CCR2 (0.51) CCR2CCR5KCNH2CYP2D6
SCHEMBL5027185 0.87 CCR2 (0.51) CCR2CCR5KCNH2CYP2D6
SCHEMBL5030415 0.82 CCR2 (0.52) CCRL2CCR2CCR5CHRM2CHRM4
SCHEMBL5030409 0.82 CCR2 (0.52) CCRL2CCR2CCR5CHRM2CHRM4

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.