SCHEMBL9998676

SCHEMBL9998676

CC(C)(C)OC(=O)CNc1cnnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 5/20 0.50
CNR1 P21554 5/20 0.48
MAPT P10636 1/20 0.38
AURKB Q96GD4 2/20 0.37
CDK2 P24941 2/20 0.37
CSNK1D P48730 2/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
FER P16591 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AXL P30530 1/20 0.37
KDR P35968 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL12034338 0.85 CNR1 (0.39) CCRL2CNR1MAPTCDK2CCNA2
SCHEMBL9998389 0.83 CNR1 (0.54) CCRL2CNR1MAPTAURKBCDK2
SCHEMBL27902587 0.82 CNR1 (0.53) CCRL2CNR1MAPTAURKBCDK2
SCHEMBL12070674 0.81 MCHR1 (0.40) CCRL2AURKBCDK2CSNK1DCCNA2
SCHEMBL9998387 0.81 CCRL2 (0.49) CCRL2CDK2CSNK1DDYRK3CSNK1A1
SCHEMBL9999163 0.80 CCRL2 (0.64) CCRL2CNR1
SCHEMBL9998046 0.80 CCRL2 (0.46) CCRL2AURKBCDK2CSNK1DCCNA2
SCHEMBL18740428 0.76 TAS2R14 (0.46) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL9998314 0.74 CCRL2 (0.62) CCRL2CNR1
SCHEMBL27902589 0.74 CNR1 (0.46) CCRL2CNR1MAPTAURKBCDK2

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 12 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 disclosed
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-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-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 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 6/4885CNR1 41/4885MAPT 4845/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CCRL2 6/4885CNR1 41/4885MAPT 4845/4885

“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.