SCHEMBL4136062

SCHEMBL4136062

COc1ccc(N(Cc2cccnc2)CC2CCNCC2)nc1OC1CCOC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.37
PDE4A P27815 5/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
SYK P43405 2/20 0.35
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 2/20 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
SCHEMBL2908807 1.00 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CCHRM2
SCHEMBL2901842 0.86 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL4140487 0.86 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL8284801 0.83 GPR119 (0.40) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL2908190 0.81 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL2908516 0.80 CHRNB2 (0.40) PDE4DPDE4APDE4BPDE4CCHRM2
SCHEMBL2901989 0.79 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL2904815 0.77 PDE4B (0.38) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL2903523 0.76 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CCHRM2
Hydrochloric Acid SCHEMBL2908528 0.75 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CCHRM2

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
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US claimed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP claimed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 WO claimed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (2 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B PDE4D 6/4885PDE4A 1/4885PDE4B 3/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B PDE4D 6/4885PDE4A 1/4885PDE4B 3/4885

“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.