SCHEMBL9999088

SCHEMBL9999088

CC(C)(C)OC(=O)N1CC(NC(=O)CNc2c(C(F)(F)F)ccc3cnncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 5/20 0.41
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CCR2 P41597 1/20 0.37
POLR1A O95602 1/20 0.37
KRAS P01116 4/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 1/20 0.36
USP30 Q70CQ3 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL9998779 0.80 CCRL2 (0.64) CCRL2CCR2
SCHEMBL9998694 0.73 CCRL2 (0.63) CCRL2CCR2
SCHEMBL9999163 0.73 CCRL2 (0.64) CCRL2CCR2
SCHEMBL9998685 0.72 CCRL2 (0.62) CCRL2CCR2
SCHEMBL2485051 0.71 PSMB11 (0.48) CCR2
SCHEMBL9998861 0.71 CCRL2 (0.64) CCRL2CCR2
SCHEMBL9998311 0.71 CCRL2 (0.63) CCRL2CCR2
SCHEMBL9998059 0.71 CCRL2 (0.57) CCRL2CCR2
SCHEMBL12070675 0.70 CCRL2 (0.52) CCRL2CCR2
SCHEMBL9998080 0.70 CCRL2 (0.63) CCRL2CCR2

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 7 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
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
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP 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

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 6/4885ADORA2A 234/4885ADORA2B 178/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CCRL2 6/4885ADORA2A 234/4885ADORA2B 178/4885

“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.