SCHEMBL3545559

SCHEMBL3545559

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nc(C)cs3)C2)cc1OC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.44
PDE4A P27815 9/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPK10 P53779 1/20 0.43
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3542709 0.91 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL5194368 0.91 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL3546032 0.91 ALDH1A1 (0.42) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL3551973 0.90 LMNA (0.45) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL5760899 0.90 LMNA (0.45) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL3553153 0.89 HPGD (0.47) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL3551578 0.89 HPGD (0.47) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3547724 0.88 HPGD (0.48) KDM4ELMNATSHRMAPK1HPGD
SCHEMBL3551513 0.88 ALDH1A1 (0.47) PDE4BPDE4ASMN1; SMN2KDM4ELMNA
SCHEMBL3545894 0.87 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DSMN1; SMN2

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 9 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
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 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
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US 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 (3 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
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 PDE4B 2/4885PDE4A 1/4885PDE4C 8/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A 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.