SCHEMBL9998968

SCHEMBL9998968

O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(n3ccccc3=O)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 20/20 1.00
CCR2 P41597 2/20 0.76
KCNH2 Q12809 2/20 0.76

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
SCHEMBL12052953 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9998972 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL12052224 0.88 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999101 0.88 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999102 0.88 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9998450 0.87 CCRL2 (1.00) CCRL2
SCHEMBL12033425 0.87 CCRL2 (1.00) CCRL2
SCHEMBL9998458 0.87 CCRL2 (1.00) CCRL2
SCHEMBL9999460 0.87 CCRL2 (1.00) CCRL2
SCHEMBL9999461 0.87 CCRL2 (1.00) CCRL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP claimed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 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 (2 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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CCRL2 6/4885CCR2 1/4885KCNH2 625/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CCRL2 6/4885CCR2 1/4885KCNH2 625/4885

“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.