SCHEMBL5033609

SCHEMBL5033609

CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2ccc(O)c(C(C)(C)C)c2)[C@H](C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.53
CYP2D6 P10635 6/20 0.53
KCNH2 Q12809 5/20 0.53
CCR5 P51681 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
SCHEMBL5033540 0.92 CCR2 (0.51) CCR2CYP2D6KCNH2CCR5
SCHEMBL5033552 0.92 CCR2 (0.51) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031907 0.86 CCR2 (0.56) CCR2CYP2D6KCNH2CCR5
SCHEMBL5029380 0.86 CCR2 (0.70) CCR2CYP2D6KCNH2CCR5
SCHEMBL5029361 0.86 CCR2 (0.70) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031848 0.85 CCR2 (0.66) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031852 0.85 CCR2 (0.66) CCR2CYP2D6KCNH2CCR5
SCHEMBL5233939 0.84 CCR2 (0.40) CCR2CYP2D6KCNH2
SCHEMBL5032013 0.84 CCR2 (0.46) CCR2CYP2D6KCNH2
SCHEMBL5227444 0.82 CCR2 (0.47) CCR2

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 5 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
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO 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 3/4885CYP2D6 3033/4885KCNH2 1662/4885

“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.