SCHEMBL1363617

SCHEMBL1363617

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(OC)c(-c3cccc(CN4CCCCC4)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.44
CHRM3 P20309 5/20 0.42
ENPP2 Q13822 2/20 0.38
ADORA2A P29274 1/20 0.37
PDE5A O76074 2/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL1362892 0.96 PDE4B (0.44) PDE4BCHRM3ENPP2ADORA2APDE5A
SCHEMBL1363448 0.95 PDE4B (0.42) PDE4BCHRM3ENPP2ADORA2APDE5A
SCHEMBL1365366 0.95 PDE4B (0.43) PDE4BCHRM3ENPP2ADORA2A
SCHEMBL1365776 0.95 CHRM3 (0.49) PDE4BCHRM3
SCHEMBL1363438 0.95 PDE4B (0.43) PDE4BCHRM3ENPP2ADORA2APDE5A
SCHEMBL1362682 0.95 CHRM3 (0.49) PDE4BCHRM3
SCHEMBL1365230 0.93 PDE4B (0.46) PDE4BCHRM3WDR5
SCHEMBL4106687 0.93 PDE4B (0.45) PDE4BCHRM3ENPP2ADORA2APDE5A
SCHEMBL1363852 0.93 PDE4B (0.49) PDE4BCHRM3
SCHEMBL1364087 0.92 CHRM3 (0.46) 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 3 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-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 5/4885ENPP2 530/4885

“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.