SCHEMBL1362514

SCHEMBL1362514

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(-c3cccc(CN4C[C@@H]5C[C@H]4CN5)c3)ccc2OC)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.43
PDE4B Q07343 12/20 0.41
TLR7 Q9NYK1 1/20 0.34
GGPS1 O95749 1/20 0.33
PDE5A O76074 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32

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
SCHEMBL1362516 1.00 CHRM3 (0.43) CHRM3PDE4BTLR7GGPS1PDE5A
SCHEMBL1367517 0.96 CHRM3 (0.40) CHRM3PDE4BTLR7GGPS1PDE5A
SCHEMBL1363755 0.93 CHRM3 (0.45) CHRM3PDE4B
SCHEMBL1363757 0.93 CHRM3 (0.45) CHRM3PDE4B
SCHEMBL1362408 0.92 CHRM3 (0.43) CHRM3PDE4BTLR7PDE5AROCK2
SCHEMBL1362404 0.92 CHRM3 (0.43) CHRM3PDE4BTLR7PDE5AROCK2
SCHEMBL1364049 0.91 CHRM3 (0.44) CHRM3PDE4BROCK2
SCHEMBL1364046 0.91 CHRM3 (0.44) CHRM3PDE4BROCK2
SCHEMBL1365054 0.89 CHRM3 (0.43) CHRM3PDE4B
SCHEMBL1365057 0.89 CHRM3 (0.43) CHRM3PDE4B

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 7 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-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 CHRM3 5/4885PDE4B 1/4885TLR7 764/4885

“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.