SCHEMBL9998412

SCHEMBL9998412

N#Cc1cc(NCC(=O)O)c2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 5/20 0.54
CCR2 P41597 2/20 0.52
KCNH2 Q12809 2/20 0.52
GSK3B P49841 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
GSK3A P49840 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CLK2 P49760 2/20 0.41
CDK5 Q00535 2/20 0.41
ABL1 P00519 1/20 0.41
MAP2K2 P36507 1/20 0.41
ACVR1 Q04771 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
MCHR1 Q99705 1/20 0.41
DYRK3 O43781 2/20 0.40
DYRK1A Q13627 2/20 0.40
STK17A Q9UEE5 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
CCNC P24863 1/20 0.39

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
SCHEMBL9998387 0.86 CCRL2 (0.49) CCRL2CCR2KCNH2GSK3BCLK4
SCHEMBL9998731 0.83 CCRL2 (0.63) CCRL2CCR2KCNH2
SCHEMBL12034443 0.81 KDM4E (0.50) CCRL2
SCHEMBL9998073 0.80 CCRL2 (0.51) CCRL2CCR2KCNH2MCHR1DYRK1A
SCHEMBL9998389 0.79 CNR1 (0.54) CCRL2GSK3BCLK4CSNK1A1CLK2
SCHEMBL9998685 0.76 CCRL2 (0.62) CCRL2CCR2KCNH2
SCHEMBL12506730 0.76 TAS2R14 (0.48) PTGDR2CTSKCDK2PTPN1PTPN6
SCHEMBL9998112 0.75 KDM4E (0.44) CCRL2CCR2KCNH2GSK3BCLK4
SCHEMBL5240032 0.70 CLK4 (0.55) GSK3BCLK4GSK3ACSNK1A1CLK2
SCHEMBL1359553 0.70 CCRL2 (0.58) CCRL2CCR2KCNH2

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
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US 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

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.