SCHEMBL1363837

SCHEMBL1363837

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(OC)c(-c3cccc(CN4CCN(C)CC4)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.45
CHRM3 P20309 13/20 0.44
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
ADORA2A P29274 1/20 0.37
ENPP2 Q13822 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 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
SCHEMBL1362702 0.98 CHRM3 (0.44) PDE4BCHRM3ROCK2ROCK1ADORA2A
SCHEMBL1365366 0.96 PDE4B (0.43) PDE4BCHRM3ROCK2ROCK1ADORA2A
SCHEMBL4098917 0.94 PDE4B (0.45) PDE4BCHRM3ADORA2AENPP2
SCHEMBL1363448 0.94 PDE4B (0.42) PDE4BCHRM3ADORA2AENPP2
SCHEMBL1363166 0.94 CHRM3 (0.53) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4356983 0.94 PDE4B (0.43) PDE4BCHRM3ADORA2AENPP2PIK3CA
SCHEMBL4350775 0.94 PDE4B (0.43) PDE4BCHRM3ADORA2AENPP2PIK3CA
SCHEMBL1362892 0.93 PDE4B (0.44) PDE4BCHRM3ADORA2AENPP2
SCHEMBL1362771 0.93 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1PIK3CA
SCHEMBL4095139 0.92 PDE4B (0.43) PDE4BCHRM3ADORA2AENPP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US claimed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US claimed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 PDE4B 1/4885CHRM3 5/4885ROCK2 262/4885

“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.