SCHEMBL1362711

SCHEMBL1362711

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(OC)c(-c3cccc(CC4CCN(C)CC4)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.43
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CHRM3 P20309 2/20 0.36
PDE5A O76074 2/20 0.35
WDR5 P61964 1/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL4088322 0.93 PDE4B (0.45) PDE4BROCK2ROCK1CHRM3PDE5A
SCHEMBL8012215 0.93 PDE4B (0.43) PDE4BPDE5AENPP2
SCHEMBL1362670 0.93 PDE4B (0.48) PDE4BWDR5
SCHEMBL1365366 0.93 PDE4B (0.43) PDE4BROCK2ROCK1CHRM3ENPP2
SCHEMBL13750932 0.91 PDE4B (0.42) PDE4BPDE5AENPP2
SCHEMBL1363448 0.91 PDE4B (0.42) PDE4BCHRM3PDE5AWDR5ENPP2
SCHEMBL1362892 0.90 PDE4B (0.44) PDE4BCHRM3PDE5AWDR5ENPP2
SCHEMBL1363438 0.90 PDE4B (0.43) PDE4BCHRM3PDE5AWDR5ENPP2
SCHEMBL1363617 0.90 PDE4B (0.44) PDE4BCHRM3PDE5AWDR5ENPP2
SCHEMBL1364435 0.89 PDE4B (0.43) PDE4BROCK2ROCK1CHRM3PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ROCK2 262/4885ROCK1 324/4885

“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.