SCHEMBL2634151

SCHEMBL2634151

COc1cccc(C2(O)CCC(N3CC(NC(=O)CNc4nn(Cc5ccccc5)c5ccc(C(F)(F)F)cc45)C3)CC2)n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.72
KCNH2 Q12809 18/20 0.72
CCRL2 O00421 5/20 0.72

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
SCHEMBL12050530 1.00 CCR2 (0.72) CCR2KCNH2CCRL2
SCHEMBL12031605 0.92 CCR2 (0.59) CCR2KCNH2CCRL2
SCHEMBL9999495 0.83 CCRL2 (1.00) CCR2KCNH2CCRL2
SCHEMBL12031112 0.83 CCR2 (0.47) CCR2KCNH2CCRL2
SCHEMBL12031286 0.83 CCR2 (0.47) CCR2KCNH2CCRL2
SCHEMBL14857008 0.82 CCR2 (0.62) CCR2KCNH2CCRL2
SCHEMBL12031609 0.82 CCR2 (0.69) CCR2KCNH2
SCHEMBL2634530 0.81 CCR2 (0.65) CCR2KCNH2CCRL2
SCHEMBL12050698 0.81 CCR2 (0.65) CCR2KCNH2CCRL2
SCHEMBL12050700 0.81 CCR2 (0.85) CCR2KCNH2CCRL2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
EP-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
US-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
EP-2580208-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-17 EP disclosed
WO-2011156554-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
WO-2011156554-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 US disclosed
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 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-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CCR2 1/4885KCNH2 1296/4885CCRL2 6/4885

“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.