SCHEMBL3547855

SCHEMBL3547855

COc1ccc([C@@H]2CC(=O)N(CC(=O)N(C)c3nccs3)C2)cc1OC1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.43
PDE4A P27815 13/20 0.43
PDE4C Q08493 8/20 0.42
PDE4D Q08499 8/20 0.42
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3545894 0.84 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DUSP2
SCHEMBL3543999 0.84 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL5197302 0.83 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL3549287 0.83 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL3550836 0.82 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL3550631 0.82 PDE4A (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL4467048 0.81 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL3544460 0.81 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL5756596 0.81 PDE4A (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL3540011 0.81 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US claimed
US-7696198-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
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
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US 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

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-20050026913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B PDE4B 5/4885PDE4A 1/4885PDE4C 8/4885

“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.