SCHEMBL2160080

SCHEMBL2160080

CC(C)[C@H](C(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.54
KCNH2 Q12809 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
TACR3 P29371 2/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL2160843 0.82 CCR1 (0.57) CCR1KCNH2ADAMTS5TACR3DPP4
SCHEMBL10292712 0.79 CCR1 (0.51) CCR1KCNH2ADAMTS5TACR3
SCHEMBL2159207 0.78 CCR1 (0.69) CCR1KCNH2
SCHEMBL10291820 0.78 CCR1 (0.66) CCR1KCNH2
SCHEMBL6520372 0.77 EPHX2 (0.44) CCR1
SCHEMBL1604149 0.77 CCR1 (0.60) CCR1
SCHEMBL10291848 0.76 CCR1 (0.52) CCR1ADAMTS5TACR3DPP4DPP7
SCHEMBL10297169 0.76 CCR1 (0.64) CCR1KCNH2
SCHEMBL3943177 0.76 CCR1 (0.56) CCR1KCNH2ADAMTS5
SCHEMBL10291679 0.76 CCR1 (0.66) CCR1KCNH2

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-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 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-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR1 1/4885KCNH2 3636/4885ADAMTS5 2696/4885

“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.