SCHEMBL4462030

SCHEMBL4462030

COc1ccc(OCCN2C[C@H](c3ccc(OC)c(OC4CCCO4)c3)CC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.49
PDE4B Q07343 11/20 0.48
PDE4C Q08493 9/20 0.48
PDE4D Q08499 9/20 0.48
HTR2C P28335 1/20 0.42
PLA2G7 Q13093 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5762460 0.94 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL5760783 0.94 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL3554682 0.93 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL3539215 0.93 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL5197256 0.93 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL3554083 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL3542915 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL5757932 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL5807740 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL3541867 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP claimed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO claimed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed