SCHEMBL628360

SCHEMBL628360

CC(C)(C)OC(=O)NC1CN(C2CCC(c3nc4c(c(=O)[nH]3)CCCC4)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
SPR P35270 6/20 0.41
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CCRL2 O00421 1/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PBK Q96KB5 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
PARP1 P09874 1/20 0.35
GAA P10253 1/20 0.35
HDAC9 Q9UKV0 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
SCHEMBL628310 0.78 CCRL2 (0.41) CCRL2JAK3PBKOPRM1OPRD1
SCHEMBL30870708 0.71 PARP1 (0.45) TNKSTNKS2SPRBTKPARP1
SCHEMBL27443951 0.71 PARP1 (0.45) TNKSTNKS2SPRBTKPARP1
SCHEMBL631472 0.71 KCNH2 (0.64)
SCHEMBL612810 0.69 KDM1A (0.53) CCRL2
SCHEMBL29899496 0.68 TNKS2 (0.48) TNKSTNKS2SPRMAPTPARP1
SCHEMBL10131948 0.68 CCRL2 (0.43) MAPTCCRL2JAK3BTKCA1
SCHEMBL3460221 0.67 CCRL2 (0.38) CCRL2JAK3BTKCA1CA2
SCHEMBL614923 0.66 LCK (0.46) CCRL2JAK3BTKCA1CA2
SCHEMBL629094 0.66 CTSK (0.43) CCRL2BTKCA1CA2GAA

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 9 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
EP-2419417-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP 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 TNKS 3754/4885TNKS2 3799/4885SPR 652/4885

“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.