SCHEMBL3460221

SCHEMBL3460221

CC(C)(C)OC(=O)NC1CN(C2CCC(c3noc(C(Cl)(Cl)Cl)n3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 1/20 0.38
HDAC4 P56524 4/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
CTSK P43235 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BTK Q06187 2/20 0.36
GAA P10253 1/20 0.35
JAK3 P52333 1/20 0.34
JAK1 P23458 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL20471084 0.73 HDAC4 (0.51) HDAC4HDAC6BTKGAA
SCHEMBL612810 0.71 KDM1A (0.53) CCRL2KMT2AL3MBTL1
SCHEMBL24774613 0.71 CTSK (0.48) CCRL2CTSKCA1CA2KMT2A
SCHEMBL10131948 0.70 CCRL2 (0.43) CCRL2CTSKCA1CA2KMT2A
SCHEMBL628261 0.70 CTSK (0.54) CCRL2CTSKCA1CA2KMT2A
SCHEMBL629074 0.69 CTSK (0.44) CCRL2CTSKCA1CA2KMT2A
SCHEMBL614923 0.69 LCK (0.46) CCRL2CTSKCA1CA2KMT2A
SCHEMBL31165363 0.69 CCRL2 (0.48) CCRL2CTSKCA1CA2KMT2A
SCHEMBL628310 0.69 CCRL2 (0.41) CCRL2GAAJAK3JAK1OPRM1
SCHEMBL629094 0.69 CTSK (0.43) CCRL2CTSKCA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-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 (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-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CCRL2 7/4885HDAC4 2772/4885HDAC6 2119/4885

“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.