SCHEMBL4350775

SCHEMBL4350775

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CC(=O)NCc1ccc(OC)c(-c2cccc(CN3CCN(C)CC3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.43
CHRM3 P20309 3/20 0.39
ENPP2 Q13822 3/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ADORA2A P29274 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL4357136 0.98 PDE4B (0.41) PDE4BCHRM3ENPP2TLR8TLR7
SCHEMBL4356983 0.98 PDE4B (0.43) PDE4BCHRM3ENPP2TLR8TLR7
SCHEMBL4349680 0.96 PDE4B (0.44) PDE4BCHRM3ENPP2ADORA2APDE5A
SCHEMBL4347458 0.95 PDE4B (0.41) PDE4BCHRM3ENPP2TLR8TLR7
SCHEMBL4353743 0.95 PDE4B (0.43) PDE4BCHRM3ENPP2ADORA2APDE5A
SCHEMBL4348648 0.94 PDE4B (0.44) PDE4BCHRM3ENPP2ADORA2APDE5A
SCHEMBL1363837 0.94 PDE4B (0.45) PDE4BCHRM3ENPP2PIK3CAMTOR
SCHEMBL4098917 0.94 PDE4B (0.45) PDE4BCHRM3ENPP2TLR8TLR7
SCHEMBL4349693 0.94 CHRM3 (0.47) PDE4BCHRM3ENPP2
SCHEMBL4364432 0.93 PDE4B (0.43) PDE4BCHRM3ENPP2ADORA2APDE5A

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
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US claimed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A PDE4B 2/4885CHRM3 20/4885ENPP2 200/4885

“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.