SCHEMBL1363419

SCHEMBL1363419

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(C)c(-c3cccc(CN4CC[C@H](N)C4)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.44
CHRM3 P20309 5/20 0.38
MAPK14 Q16539 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
PIK3CD O00329 1/20 0.34
KLKB1 P03952 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
SCHEMBL3427166 0.95 CHRM3 (0.45) PDE4BCHRM3CHRM2CHRM1
SCHEMBL1363424 0.95 PDE4B (0.43) PDE4BCHRM3CHRM2CHRM1PIK3CD
SCHEMBL4098011 0.93 PDE4B (0.45) PDE4BCHRM3MAPK14CHRM2CHRM1
SCHEMBL4350076 0.93 PDE4B (0.43) PDE4BCHRM3MAPK14PIK3CD
SCHEMBL4354449 0.93 PDE4B (0.43) PDE4BCHRM3MAPK14PIK3CD
SCHEMBL1364703 0.93 PDE4B (0.46) PDE4BCHRM3MAPK14CHRM2CHRM1
SCHEMBL1365230 0.92 PDE4B (0.46) PDE4BCHRM3MAPK14PIK3CD
SCHEMBL1363244 0.92 PDE4B (0.45) PDE4BCHRM3MAPK14
SCHEMBL1363343 0.91 CHRM3 (0.49) PDE4BCHRM3CHRM2CHRM1
SCHEMBL1364637 0.91 CHRM3 (0.49) PDE4BCHRM3CHRM2CHRM1

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 5/4885MAPK14 2014/4885

“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.