SCHEMBL1363847

SCHEMBL1363847

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.45
CHRM3 P20309 4/20 0.38
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
MAPK1 P28482 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL1362090 0.96 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1
SCHEMBL1362984 0.94 PDE4B (0.46) PDE4BNR3C1
SCHEMBL1362407 0.93 PDE4B (0.45) PDE4BMAPK1NR3C1
SCHEMBL13761214 0.93 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4088151 0.92 PDE4B (0.46) PDE4BCHRM3MAPK1
SCHEMBL3428333 0.92 PDE4B (0.45) PDE4BCHRM3MAPK1
SCHEMBL1363832 0.92 PDE4B (0.50) PDE4BMAPK1NR3C1
SCHEMBL1363719 0.92 PDE4B (0.44) PDE4BCHRM3
SCHEMBL4346765 0.92 PDE4B (0.45) PDE4BCHRM3MAPK1
SCHEMBL4349939 0.92 PDE4B (0.45) PDE4BCHRM3MAPK1

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 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
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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 5/4885CHRM2 4/4885

“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.