SCHEMBL2903096

SCHEMBL2903096

COc1ccc(C(c2cccnc2)N(C)C2CCNCC2)nc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.41
SLC6A4 P31645 11/20 0.36
SLC6A2 P23975 10/20 0.36
SLC6A3 Q01959 4/20 0.36
PDE4D Q08499 3/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2903092 0.78 PDE4A (0.38) PDE4ASLC6A4SLC6A2SLC6A3PDE4D
SCHEMBL2903523 0.73 PDE4A (0.47) PDE4ASLC6A4SLC6A2SLC6A3PDE4D
Hydrochloric Acid SCHEMBL2908528 0.73 PDE4A (0.47) PDE4ASLC6A4SLC6A2SLC6A3PDE4D
Hydrochloric Acid SCHEMBL2902642 0.73 PDE4D (0.39) PDE4ASLC6A4SLC6A2SLC6A3PDE4D
SCHEMBL2903522 0.69 PDE4A (0.39) PDE4ASLC6A4SLC6A2SLC6A3PDE4D
Hydrochloric Acid SCHEMBL2908525 0.68 PDE4A (0.38) PDE4ASLC6A4SLC6A2SLC6A3PDE4D
SCHEMBL2902564 0.68 SLC6A2 (0.41) PDE4ASLC6A4SLC6A2SLC6A3PDE4D
SCHEMBL2901823 0.67 PDE4A (0.41) PDE4APDE4DPDE4BPDE4C
SCHEMBL2905266 0.67 PDE4A (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL5648505 0.67 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3

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 4 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 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 PDE4A 1/4885SLC6A4 595/4885SLC6A2 1346/4885

“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.