SCHEMBL2901822

SCHEMBL2901822

COc1ccc(C(N)(c2ccncc2)C2CCNCC2)nc1OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.37
PDE4A P27815 15/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PDE4D Q08499 4/20 0.35
PDE4C Q08493 3/20 0.35
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
AKT1 P31749 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL2903522 0.88 PDE4A (0.39) PDE4BPDE4APDE4DPDE4CIKBKB
Hydrochloric Acid SCHEMBL2908525 0.88 PDE4A (0.38) PDE4BPDE4APDE4DPDE4CIKBKB
SCHEMBL2903724 0.72 PDE4A (0.42) PDE4BPDE4APDE4DPDE4C
SCHEMBL2906304 0.72 IKBKB (0.36) IKBKBCHUK
SCHEMBL2901823 0.69 PDE4A (0.41) PDE4BPDE4APDE4DPDE4C
SCHEMBL2902564 0.65 SLC6A2 (0.41) PDE4BPDE4APDE4DPDE4C
SCHEMBL6607678 0.65 FFAR4 (0.43) PDE4BPDE4AS1PR1S1PR3PDE4D
SCHEMBL26151328 0.64 MCHR1 (0.46) PDE4BPDE4AS1PR1S1PR3PDE4D
SCHEMBL2905574 0.64 PDE4A (0.42) PDE4BPDE4AS1PR1S1PR3PDE4D
Hydrochloric Acid SCHEMBL2902642 0.64 PDE4D (0.39) PDE4BPDE4APDE4DPDE4C

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 6 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

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 PDE4B 2/4885PDE4A 1/4885S1PR1 1437/4885

“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.