SCHEMBL2634492

SCHEMBL2634492

COc1ccc(C2CCC(=O)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PIK3CA P42336 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NNMT P40261 1/20 0.39
PDE10A Q9Y233 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE1C Q14123 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3703416 0.91 PDE4A (0.48) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL25048716 0.91 PDE4A (0.48) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL167849 0.86 TRPV6 (0.46) SLC6A2SLC6A4SLC6A3NNMTTRPV6
SCHEMBL22048068 0.83 CHRNA7 (0.49) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL16475195 0.83 PDGFRB (0.44) SLC6A2SLC6A4SLC6A3NNMTTRPV6
SCHEMBL16475192 0.83 PDGFRB (0.47) SLC6A2SLC6A4SLC6A3NNMTTRPV6
SCHEMBL25347011 0.82 PDE4A (0.46) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL27211115 0.82 PDE4A (0.46) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL25342894 0.82 PDE4A (0.46) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5182802 0.81 KDM4E (0.50) SLC6A2SLC6A4SLC6A3NNMTPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111712490-A Amino-substituted pyridone derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-09-25 CN disclosed
WO-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 WO disclosed
EP-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
US-8921559-B2 4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-30 US disclosed
EP-2646429-B1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-10-15 EP disclosed
EP-2646429-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-10-09 EP disclosed
US-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
EP-2580208-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-17 EP disclosed
WO-2012075115-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 WO disclosed
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-07 US disclosed
WO-2011156554-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 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-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ESR2 582/4885PDE4A 1778/4885PDE4B 1817/4885
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 ESR2 810/4885PDE4A 388/4885PDE4B 566/4885

“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.