SCHEMBL2931161

SCHEMBL2931161

COc1ccc(N(C(=O)c2cccnc2)c2cccc(C(=O)O)c2)cc1OC1CCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.54
PDE4B Q07343 13/20 0.54
PDE4C Q08493 11/20 0.54
PDE4D Q08499 11/20 0.54
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL2926085 0.98 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL2930361 0.94 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL2932678 0.92 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL2925828 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL2925801 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL2926416 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2931464 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL2930876 0.89 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2924811 0.89 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2932540 0.88 CYP1A1 (0.48) ALDH1A1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP claimed
US-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS SCHUMACHER RICHARD A 2010-07-08 US claimed
US-7700631-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US claimed
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US claimed
US-7087625-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2006-08-08 US claimed
EP-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP claimed
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 US claimed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO claimed
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP disclosed
US-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS SCHUMACHER RICHARD A 2010-07-08 US disclosed
US-7700631-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US disclosed
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US disclosed
US-7087625-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2006-08-08 US disclosed
EP-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP disclosed
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 US disclosed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 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-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 7/4885
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 7/4885
US-20040152902-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 9/4885

“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.