SCHEMBL5029485

SCHEMBL5029485

CCCC[C@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.69
KCNH2 Q12809 6/20 0.69
CYP2D6 P10635 6/20 0.69
CCR5 P51681 5/20 0.69
ADRB2 P07550 1/20 0.58
HRH1 P35367 1/20 0.58
DRD3 P35462 1/20 0.58
GLP1R P43220 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
GPR119 Q8TDV5 1/20 0.58

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
SCHEMBL5029477 1.00 CCR2 (0.69) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5029466 1.00 CCR2 (0.69) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5029297 0.96 CCR2 (0.68) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5029434 0.96 CCR2 (0.68) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5029311 0.96 CCR2 (0.68) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5029415 0.96 CCR2 (0.68) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5030550 0.94 CCR2 (0.62) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5030556 0.94 CCR2 (0.62) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5027169 0.92 CCR2 (0.68) CCR2KCNH2CYP2D6CCR5ADRB2
SCHEMBL5027163 0.92 CCR2 (0.68) CCR2KCNH2CYP2D6CCR5ADRB2

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 3/4885KCNH2 1662/4885CYP2D6 3033/4885

“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.