SCHEMBL5029600

SCHEMBL5029600

COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNc1ncnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.63
CCR5 P51681 4/20 0.63
CCRL2 O00421 13/20 0.57
KCNH2 Q12809 2/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM1 P11229 1/20 0.53

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
SCHEMBL5029605 1.00 CCR2 (0.63) CCR2CCR5CCRL2KCNH2CYP2D6
SCHEMBL5031854 0.91 CCR2 (0.55) CCR2CCR5CCRL2
SCHEMBL5031849 0.91 CCR2 (0.55) CCR2CCR5CCRL2
SCHEMBL5033619 0.89 CCRL2 (0.58) CCR2CCR5CCRL2KCNH2CYP2D6
SCHEMBL5033622 0.89 CCRL2 (0.58) CCR2CCR5CCRL2KCNH2CYP2D6
SCHEMBL5029582 0.88 CCRL2 (0.61) CCR2CCR5CCRL2KCNH2CHRM2
SCHEMBL5030443 0.86 CCR2 (0.61) CCR2CCR5CCRL2KCNH2CYP2D6
SCHEMBL5030425 0.86 CCR2 (0.61) CCR2CCR5CCRL2KCNH2CYP2D6
SCHEMBL5233171 0.83 CCRL2 (0.55) CCRL2
SCHEMBL5029596 0.79 CCRL2 (0.49) CCR2CCR5CCRL2

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 CCR2 3/4885CCR5 11/4885CCRL2 15/4885

“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.