SCHEMBL2909562

SCHEMBL2909562

COc1ccc(C(Nc2ccc(C(=O)O)cc2)c2cccnc2)c(F)c1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 4/20 0.48
PDE4A P27815 10/20 0.46
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P4HB P07237 1/20 0.39
KMT2A Q03164 1/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL2902034 0.91 PDE4A (0.44) RCE1PDE4APDE4BPDE4CPDE4D
SCHEMBL2908821 0.85 PDE4A (0.46) RCE1PDE4APDE4BPDE4CPDE4D
SCHEMBL2908850 0.82 PDE4A (0.47) RCE1PDE4APDE4BPDE4CPDE4D
SCHEMBL6414817 0.82 PDE4A (0.44) RCE1PDE4APDE4BPDE4CPDE4D
SCHEMBL2907341 0.82 PDE4A (0.47) RCE1PDE4APDE4BPDE4CPDE4D
SCHEMBL5435494 0.80 PDE4A (0.44) RCE1PDE4APDE4BPDE4CPDE4D
SCHEMBL2902818 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL2905934 0.76 RCE1 (0.50) RCE1PDE4DALDH1A1
SCHEMBL2902041 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADRB1
SCHEMBL2908318 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D

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
JP-2007513957-A 2007-05-31 JP claimed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP claimed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US claimed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO claimed
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B RCE1 545/4885PDE4A 1/4885PDE4B 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.