SCHEMBL4092358

SCHEMBL4092358

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(OC)c(-c3cccc(CN4CC(C)N[C@H](C)C4)c3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.44
CHRM3 P20309 6/20 0.38
ADORA2A P29274 1/20 0.35
PDE5A O76074 3/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 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
SCHEMBL3430788 1.00 PDE4B (0.44) PDE4BCHRM3ADORA2APDE5ACHRM2
SCHEMBL1363729 0.95 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4360561 0.94 PDE4B (0.43) PDE4BCHRM3ADORA2APDE5A
SCHEMBL3425751 0.94 PDE4B (0.43) PDE4BCHRM3ADORA2APDE5A
SCHEMBL4095343 0.94 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4095127 0.94 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4353881 0.94 PDE4B (0.42) PDE4BCHRM3ADORA2APDE5A
SCHEMBL1364268 0.93 PDE4B (0.42) PDE4BCHRM3ADORA2APDE5ACHRM2
SCHEMBL4104716 0.93 PDE4B (0.45) PDE4BCHRM3CHRM2CHRM1
SCHEMBL3432845 0.93 PDE4B (0.49) 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-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B PDE4B 3/4885CHRM3 8/4885ADORA2A 291/4885

“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.