SCHEMBL615865

SCHEMBL615865

COc1ccc(C2(O)CCC(=O)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.40
TDP2 O95551 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23232227 0.88 LMNA (0.46) LMNAMAPK1HTTRAB9ACYP3A4
SCHEMBL16885933 0.83 LMNA (0.47) LMNAMAPK1HTTRAB9ACYP3A4
SCHEMBL8188696 0.81 SLC6A3 (0.40) CYP3A4CYP11B1CYP11B2
SCHEMBL16874827 0.78 KDM4E (0.51) LMNAMAPK1HTTRAB9AMAPT
SCHEMBL615013 0.77 CYP3A4 (0.38) LMNAMAPK1HTTRAB9ACYP3A4
SCHEMBL19737304 0.75 LMNA (0.47) LMNAMAPK1CYP3A4KDM4EALDH1A1
SCHEMBL23232224 0.74 HRH2 (0.42) LMNAMAPK1MAPTKDM4EALDH1A1
SCHEMBL613812 0.74 OPRM1 (0.50) LMNAHTTALDH1A1
SCHEMBL16874615 0.73 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DMAPT
Tert-Butyl Formate SCHEMBL28103947 0.73 SIGMAR1 (0.41) LMNAMAPK1HTTRAB9ACYP3A4

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 16 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
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
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US 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
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US 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
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
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
EP-0789691-A1 HETEROCYCLYLAMINO AND HETEROCYCLYLOXY-CYCLOALKENYL DERIVATIVES AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1997-08-20 EP disclosed
WO-1996013487-A1 HETEROCYCLYLAMINO AND HETEROCYCLYLOXY-CYCLOALKENYL DERIVATIVES AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-05-09 WO 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 PDE4A 1283/4885PDE4B 1517/4885PDE4C 2059/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 PDE4A 1283/4885PDE4B 1517/4885PDE4C 2059/4885

“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.