SCHEMBL1778444

SCHEMBL1778444

COC(=O)C1CCC(=O)C(C)(c2ccc(Cl)c(C(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.50
NOTUM Q6P988 7/20 0.39
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 2/20 0.37
GRIN2B Q13224 3/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 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
SCHEMBL3232281 0.88 CCR2 (0.55) CCR2NOTUMOPRM1OPRL1KMT2A
SCHEMBL14237109 0.88 CCR2 (0.55) CCR2NOTUMOPRM1OPRL1KMT2A
SCHEMBL1780380 0.78 CCR2 (0.48) CCR2NOTUMOPRM1OPRL1KMT2A
SCHEMBL1783202 0.73 CCR2 (0.45) CCR2OPRM1OPRL1GRIN2BOPRD1
SCHEMBL1779542 0.73 CCR2 (0.45) CCR2OPRM1OPRL1GRIN2BOPRD1
SCHEMBL11076736 0.73 CCR2 (0.47) CCR2NOTUMOPRM1OPRL1GRIN2B
SCHEMBL1779964 0.72 NOTUM (0.40) NOTUMKMT2AP2RX7
SCHEMBL1778445 0.71 CCR2 (0.51) CCR2OPRM1OPRL1OPRD1OPRK1
SCHEMBL1779916 0.71 CCR2 (0.51) CCR2OPRM1OPRL1OPRD1OPRK1
SCHEMBL1780797 0.70 CCR2 (0.48) CCR2OPRM1OPRL1OPRD1OPRK1

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 2/4885NOTUM 2861/4885OPRM1 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.