SCHEMBL4196598

SCHEMBL4196598

COc1ccc(N(Cc2cncc(Cl)c2)c2cccc(C(=O)O)c2)cc1OC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.46
PDE4A P27815 7/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
LTC4S Q16873 3/20 0.43
ROCK2 O75116 1/20 0.36
PTGER1 P34995 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 2/20 0.34

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
SCHEMBL1157744 0.89 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL4196594 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL4193116 0.83 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL4193854 0.82 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL4193466 0.80 PDE4A (0.55) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL1157475 0.80 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL3129306 0.80 PDE4A (0.56) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3128910 0.80 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL1157603 0.80 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DROCK2
SCHEMBL3131336 0.80 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DLTC4S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US claimed
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP claimed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US claimed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 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
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885

“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.