SCHEMBL9998018

SCHEMBL9998018

CNc1cnccc1C1CCC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.41
AOC1 P19801 2/20 0.39
AOC3 Q16853 2/20 0.39
MAPT P10636 3/20 0.37
GSK3B P49841 3/20 0.37
PTGS1 P23219 2/20 0.35
CYP17A1 P05093 3/20 0.34
ATR Q13535 3/20 0.34
CCRL2 O00421 1/20 0.34
ESR2 Q92731 1/20 0.34
PTGS2 P35354 1/20 0.33
OPRL1 P41146 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
SCHEMBL15818020 0.87 AOC1 (0.46) KDM4CAOC1AOC3MAPTGSK3B
SCHEMBL27820281 0.76 CYP17A1 (0.38) KDM4CAOC1AOC3MAPTCYP17A1
SCHEMBL9997975 0.75 CYP17A1 (0.43) CYP17A1
SCHEMBL628255 0.72 ESR2 (0.44) CYP17A1ESR2
SCHEMBL629073 0.72 GAA (0.37) KDM4CMAPTCYP17A1ESR2
SCHEMBL20935329 0.71 SLC22A12 (0.36) MAPTCYP17A1ESR2
SCHEMBL6121043 0.70 PTGS1 (0.58) PTGS1CYP17A1PTGS2
SCHEMBL22067806 0.69 PIM2 (0.53) GSK3B
SCHEMBL9953378 0.68 MAPT (0.49) KDM4CMAPTGSK3BATR
SCHEMBL9101707 0.67 CTSS (0.41)

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
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 KDM4C 969/4885AOC1 748/4885AOC3 1654/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 KDM4C 969/4885AOC1 748/4885AOC3 1654/4885

“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.