SCHEMBL1364112

SCHEMBL1364112

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(CN4CCCN(C)CC4)c3)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.43
CHRM3 P20309 6/20 0.42
SLC2A1 P11166 1/20 0.39
EZH2 Q15910 1/20 0.37
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL1363807 0.98 PDE4B (0.44) PDE4BCHRM3PIK3CAMTOR
SCHEMBL1363703 0.92 CHRM3 (0.42) PDE4BCHRM3
SCHEMBL1363321 0.92 PDE4B (0.44) PDE4BCHRM3
SCHEMBL1362789 0.92 PDE4B (0.44) PDE4BCHRM3SLC2A1
SCHEMBL1363474 0.91 CHRM3 (0.45) PDE4BCHRM3SLC2A1EZH2PIK3CA
SCHEMBL1364533 0.90 CHRM3 (0.45) PDE4BCHRM3SLC2A1EZH2PIK3CA
SCHEMBL1364155 0.89 PDE4B (0.45) PDE4BCHRM3SLC2A1PIK3CAMTOR
SCHEMBL1363353 0.89 PDE4B (0.46) PDE4BCHRM3SLC2A1EZH2
SCHEMBL1363173 0.89 CHRM3 (0.42) PDE4BCHRM3SLC2A1EZH2PIK3CA
SCHEMBL1362771 0.89 PDE4B (0.46) PDE4BCHRM3PIK3CAMTOR

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 5/4885SLC2A1 4477/4885

“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.