SCHEMBL4199894

SCHEMBL4199894

COc1ccc(N(Cc2cccnc2)c2ccc(C(=O)NS(C)(=O)=O)cc2)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.58
PDE4D Q08499 12/20 0.58
PDE4B Q07343 11/20 0.58
PDE4C Q08493 11/20 0.58
CXCR3 P49682 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4188657 0.94 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CSCN5A
SCHEMBL4202837 0.91 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CCXCR3
SCHEMBL4196417 0.89 PDE4B (0.46) PDE4APDE4DPDE4BPDE4CCXCR3
SCHEMBL1157624 0.87 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CUSP2
SCHEMBL1157078 0.87 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL4194607 0.87 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL4198463 0.86 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CUSP2
SCHEMBL4188841 0.85 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL4190613 0.84 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CUSP2
SCHEMBL1157639 0.84 PDE4B (0.54) PDE4APDE4DPDE4BPDE4CUSP2

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
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US 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
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US disclosed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 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 (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 PDE4A 1/4885PDE4D 8/4885PDE4B 2/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4D 8/4885PDE4B 2/4885

“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.