SCHEMBL2903523

SCHEMBL2903523

COc1ccc(N(Cc2cccnc2)C2CCNCC2)nc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.47
PDE4D Q08499 4/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
GRM2 Q14416 3/20 0.37
NMT1 P30419 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 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
Hydrochloric Acid SCHEMBL2908528 0.99 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL4132274 0.90 SLC6A2 (0.44) PDE4APDE4DPDE4BPDE4CSLC6A2
SCHEMBL2909468 0.90 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CTP53
Hydrochloric Acid SCHEMBL5801370 0.90 MAPT (0.42) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL2905407 0.90 SLC6A2 (0.36) PDE4APDE4DPDE4BPDE4CSLC6A2
SCHEMBL2901823 0.89 PDE4A (0.41) PDE4APDE4DPDE4BPDE4C
SCHEMBL2901842 0.89 PDE4D (0.38) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL2906884 0.86 SLC6A2 (0.39) PDE4APDE4DPDE4BPDE4CTP53
Oxalic Acid SCHEMBL4131755 0.86 SLC6A2 (0.41) PDE4APDE4DPDE4BPDE4CSLC6A2
Oxalic Acid SCHEMBL2902724 0.86 PDE4A (0.44) PDE4APDE4DPDE4BPDE4CTP53

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 5 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
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 1/4885PDE4D 6/4885PDE4B 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.