SCHEMBL1780050

SCHEMBL1780050

CC1=C(C(=O)O)C(C)(c2ccc(Cl)c(C(F)(F)F)c2)CC(OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.48
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
OPRM1 P35372 6/20 0.38
OPRL1 P41146 5/20 0.38
OPRD1 P41143 2/20 0.38
MGLL Q99685 1/20 0.38
GRIN2B Q13224 2/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
NOTUM Q6P988 1/20 0.35
TP53 P04637 1/20 0.35
OPRK1 P41145 1/20 0.34

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
SCHEMBL1781104 0.83 CCR2 (0.67) CCR2
SCHEMBL1779522 0.80 CCR2 (0.57) CCR2OPRM1OPRL1OPRD1GRIN2B
SCHEMBL1778747 0.80 CCR2 (0.67) CCR2OPRM1OPRL1OPRD1GRIN2B
SCHEMBL1783202 0.79 CCR2 (0.45) CCR2PPARGPPARAOPRM1OPRL1
SCHEMBL1779542 0.79 CCR2 (0.45) CCR2PPARGPPARAOPRM1OPRL1
SCHEMBL1779411 0.79 CCR2 (0.70) CCR2OPRM1OPRL1OPRD1GRIN2B
SCHEMBL1780983 0.78 CCR2 (0.54) CCR2OPRM1OPRL1OPRD1GRIN2B
SCHEMBL1779370 0.77 CCR2 (0.52) CCR2PPARGPPARAOPRM1OPRL1
SCHEMBL1781275 0.75 CCR2 (0.45) CCR2PPARGPPARAOPRM1OPRL1
SCHEMBL4665390 0.67 OPRK1 (0.44) OPRM1OPRL1OPRD1DRD4DRD3

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-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
EP-2318352-A2 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2011-05-11 EP 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-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR2 2/4885PPARG 605/4885PPARA 1419/4885

“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.