SCHEMBL2906884

SCHEMBL2906884

COc1ccc(N(Cc2cccnc2)C2CCNCC2)nc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.39
SLC6A4 P31645 12/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
SLC6A3 Q01959 6/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
Oxalic Acid SCHEMBL2902588 0.95 MAPT (0.40) SLC6A2SLC6A4TP53MAPTALDH1A1
SCHEMBL2903523 0.86 PDE4A (0.47) SLC6A2SLC6A4TP53MAPTSLC6A3
SCHEMBL2906305 0.86 CHRM2 (0.39) SLC6A2SLC6A4TP53MAPTSLC6A3
Hydrochloric Acid SCHEMBL2908528 0.85 PDE4A (0.47) SLC6A2SLC6A4TP53MAPTSLC6A3
SCHEMBL4139915 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL2901842 0.83 PDE4D (0.38) SLC6A2SLC6A4TP53MAPTSLC6A3
Hydrochloric Acid SCHEMBL4149833 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL4140931 0.82 SLC6A2 (0.39) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4136187 0.81 SLC6A2 (0.38) SLC6A2SLC6A4
SCHEMBL2908945 0.78 PDE4D (0.40) SLC6A2SLC6A4SLC6A3PDE4APDE4B

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
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
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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 (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 SLC6A2 1346/4885SLC6A4 595/4885TP53 4759/4885

“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.