SCHEMBL2634461

SCHEMBL2634461

O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CNC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.69
KCNH2 Q12809 14/20 0.69
CRHR1 P34998 3/20 0.49

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
SCHEMBL9998697 0.81 CCRL2 (0.57) CCR2KCNH2
SCHEMBL12031537 0.81 CCR2 (0.85) CCR2KCNH2
SCHEMBL1361086 0.81 CCR2 (0.57) CCR2KCNH2CRHR1
SCHEMBL12031529 0.80 CCR2 (0.84) CCR2KCNH2
SCHEMBL9998175 0.80 CCRL2 (0.62) CCR2KCNH2
SCHEMBL2634227 0.80 CCR2 (0.61) CCR2KCNH2
SCHEMBL9998293 0.80 CCRL2 (0.69)
SCHEMBL12031533 0.80 CCR2 (0.83) CCR2KCNH2
SCHEMBL12050063 0.80 CCR2 (0.65) CCR2KCNH2CRHR1
SCHEMBL14528922 0.79 CCR2 (0.56) CCR2KCNH2CRHR1

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 11 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
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
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 US 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 1296/4885CRHR1 118/4885

“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.