SCHEMBL4358136

SCHEMBL4358136

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCC(=O)NCc1ccc(C)c(-c2cccc(CN3C[C@@H](C)N[C@@H](C)C3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.43
CHRM3 P20309 5/20 0.38
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
MAPK1 P28482 2/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4355939 0.98 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1MAPK1
SCHEMBL8011358 0.96 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1MAPK1
SCHEMBL4357146 0.94 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4104716 0.94 PDE4B (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4356944 0.94 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL1363360 0.94 PDE4B (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4353529 0.94 PDE4B (0.43) PDE4BCHRM3MAPK1
SCHEMBL4352177 0.94 CHRM3 (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL1364679 0.93 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4353881 0.93 PDE4B (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US claimed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090203677-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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A PDE4B 2/4885CHRM3 20/4885CHRM2 14/4885

“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.