SCHEMBL1363061

SCHEMBL1363061

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(C)c(-c3cccc(CN(C)CCN(C)C)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
CHRM3 P20309 2/20 0.37
NR3C1 P04150 1/20 0.35
MAPK1 P28482 2/20 0.33
NTRK1 P04629 1/20 0.33
WDR5 P61964 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
SCHEMBL1363373 0.95 PDE4B (0.48) PDE4BNR3C1MAPK1NTRK1
SCHEMBL1364865 0.94 PDE4B (0.44) PDE4BCHRM3NR3C1MAPK1
SCHEMBL1364333 0.94 PDE4B (0.44) PDE4BCHRM3NR3C1NTRK1
SCHEMBL1364435 0.93 PDE4B (0.43) PDE4BCHRM3NR3C1WDR5
SCHEMBL4098059 0.93 PDE4B (0.46) PDE4BCHRM3NR3C1MAPK1NTRK1
SCHEMBL4351289 0.93 PDE4B (0.44) PDE4BCHRM3MAPK1NTRK1
SCHEMBL4358022 0.93 PDE4B (0.44) PDE4BCHRM3MAPK1
SCHEMBL1363059 0.92 PDE4B (0.44) PDE4BNR3C1
SCHEMBL1363116 0.90 CHRM3 (0.46) PDE4BCHRM3
SCHEMBL1363244 0.90 PDE4B (0.45) PDE4BCHRM3

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 2 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 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 5/4885NR3C1 328/4885

“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.