SCHEMBL614923

SCHEMBL614923

CC(C)(C)OC(=O)Nc1ccc(C2CCC(N3CC(NC(=O)OC(C)(C)C)C3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.46
JAK3 P52333 2/20 0.46
BTK Q06187 1/20 0.46
NAMPT P43490 2/20 0.45
CCRL2 O00421 1/20 0.44
CCR2 P41597 3/20 0.41
KCNH2 Q12809 3/20 0.41
EGFR P00533 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CTSK P43235 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
SYK P43405 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
DRD2 P14416 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
SCHEMBL10131948 0.88 CCRL2 (0.43) LCKJAK3BTKCCRL2CCR2
SCHEMBL27868160 0.87 NAMPT (0.44) LCKJAK3BTKNAMPTKDM1A
SCHEMBL612810 0.87 KDM1A (0.53) CCRL2CCR2KCNH2KMT2AL3MBTL1
SCHEMBL22852277 0.85 NAMPT (0.48) LCKJAK3BTKNAMPTHRH3
SCHEMBL22852325 0.85 NAMPT (0.48) LCKJAK3BTKNAMPTHRH3
SCHEMBL22852497 0.78 NAMPT (0.47) NAMPTKDM1ASYKMAPKAPK2
SCHEMBL31205994 0.77 KDM1A (0.51) LCKJAK3BTKNAMPTEGFR
SCHEMBL31488990 0.76 KDM1A (0.52) NAMPTKMT2AL3MBTL1KDM1AMAOB
SCHEMBL613296 0.76 CCR2 (0.59) CCRL2CCR2KCNH2
SCHEMBL22852498 0.76 NAMPT (0.44) NAMPTHRH3MAPKAPK2DRD2

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-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 LCK 834/4885JAK3 1844/4885BTK 2425/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 LCK 834/4885JAK3 1844/4885BTK 2425/4885

“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.