SCHEMBL10131948

SCHEMBL10131948

Cc1ccc(C2CCC(N3CC(NC(=O)OC(C)(C)C)C3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 1/20 0.43
JAK3 P52333 3/20 0.43
LCK P06239 2/20 0.43
BTK Q06187 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 5/20 0.42
KCNH2 Q12809 5/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
EGFR P00533 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
SCHEMBL612810 0.89 KDM1A (0.53) CCRL2KMT2AL3MBTL1CCR2KCNH2
SCHEMBL614923 0.88 LCK (0.46) CCRL2JAK3LCKBTKKMT2A
SCHEMBL613296 0.78 CCR2 (0.59) CCRL2CCR2KCNH2
SCHEMBL21232623 0.77 BTK (0.56) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21232477 0.77 BTK (0.56) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL13999223 0.76 KDM1A (0.58) JAK3LCKBTKKMT2AL3MBTL1
SCHEMBL7273631 0.76 KDM1A (0.53) JAK3BTKKMT2AL3MBTL1KDM1A
SCHEMBL7284536 0.76 KDM1A (0.53) JAK3BTKKMT2AL3MBTL1KDM1A
SCHEMBL27868160 0.75 NAMPT (0.44) JAK3LCKBTKKDM1A
SCHEMBL23335033 0.75 CTSK (0.49) CCRL2BTKKMT2AL3MBTL1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 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 (1 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 CCRL2 7/4885JAK3 1844/4885LCK 834/4885

“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.