SCHEMBL628751

SCHEMBL628751

CC(C)n1cc(C2CCC(=O)CC2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.46
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CASP3 P42574 4/20 0.36
CDK9 P50750 4/20 0.36
CASP7 P55210 4/20 0.36
HRH3 Q9Y5N1 2/20 0.35
HSD11B1 P28845 1/20 0.35
BMPR1B O00238 6/20 0.33
BMPR1A P36894 6/20 0.33
ACVRL1 P37023 6/20 0.33
ACVR1 Q04771 6/20 0.33
TGFBR1 P36897 5/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
SRD5A1 P18405 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL24022882 0.90 CASP3 (0.38) ESR2CASP3CDK9CASP7HRH3
SCHEMBL628323 0.78 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL629163 0.74 ESR2 (0.46) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL14403055 0.72 ESR2 (0.78) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL15187976 0.70 ESR2 (0.58) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL19868879 0.70 ESR2 (0.39) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8081778 0.70 MET (0.40) HSD11B1
SCHEMBL629194 0.69 ESR2 (0.47) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL627753 0.69 ESR2 (0.44) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL21483639 0.68 KCNH2 (0.35) HRH3KCNH2PDE10A

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 13 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
CN-102459225-B 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2014-08-20 CN 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
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
CN-102459225-A 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2012-05-16 CN 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
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 ESR2 567/4885PDE4A 1530/4885PDE4B 1854/4885

“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.