SCHEMBL1781275

SCHEMBL1781275

CC1(c2ccc(Cl)c(C(F)(F)F)c2)CC(OCc2ccccc2)CC=C1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.45
MGLL Q99685 1/20 0.34
OPRM1 P35372 6/20 0.33
OPRL1 P41146 5/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GRIN2B Q13224 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MMP7 P09237 1/20 0.32
AKR1C3 P42330 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL1783202 0.78 CCR2 (0.45) CCR2MGLLOPRM1OPRL1PPARG
SCHEMBL1779542 0.78 CCR2 (0.45) CCR2MGLLOPRM1OPRL1PPARG
SCHEMBL1780255 0.77 CCR2 (0.52) CCR2OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL1780050 0.75 CCR2 (0.48) CCR2MGLLOPRM1OPRL1PPARG
SCHEMBL23203461 0.65 DRD2 (0.35) OPRM1OPRL1
SCHEMBL23093104 0.65 DRD2 (0.35) OPRM1OPRL1
SCHEMBL4665390 0.64 OPRK1 (0.44) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL3233950 0.64 CCR2 (0.82) CCR2
SCHEMBL1781364 0.63 CCR2 (1.00) 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-8507559-B2 Cyclohexenyl modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
EP-2318352-B1 CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
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
WO-2010009068-A2 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 WO 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 2/4885MGLL 2384/4885OPRM1 194/4885

“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.