SCHEMBL2909104

SCHEMBL2909104

COc1ccc(N(Cc2cccnc2)C2CCN(C(=O)c3ccc(F)cc3)CC2)nc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 4/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.39
CCR3 P51677 1/20 0.39
PKM P14618 1/20 0.39
CCR5 P51681 1/20 0.39
MAPK7 Q13164 1/20 0.39
MAPK14 Q16539 1/20 0.38
PDK1 Q15118 1/20 0.38

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
SCHEMBL2903725 0.83 PDE4A (0.51) CYP3A4ALDH1A1PDE4APDE4BPDE4C
SCHEMBL2903523 0.80 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTP53
Hydrochloric Acid SCHEMBL2908528 0.80 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL2908928 0.78 GPR119 (0.42) PDE4APDE4BPDE4CPDE4DTP53
Oxalic Acid SCHEMBL2902724 0.78 PDE4A (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2909468 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL2901989 0.76 PDE4D (0.42) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL2905268 0.74 PDE4A (0.47) CYP3A4ALDH1A1PDE4APDE4BPDE4C
Oxalic Acid SCHEMBL4131755 0.73 SLC6A2 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL2907956 0.72 PDE4A (0.45) CYP3A4ALDH1A1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP claimed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US 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
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 CYP3A4 104/4885ALDH1A1 300/4885PDE4A 1/4885

“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.