SCHEMBL4094859

SCHEMBL4094859

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(C)c(-c3cccc(CN4CCN(C(=O)O)[C@@H](C)C4)c3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
CHRM3 P20309 6/20 0.36
MAPK14 Q16539 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
MGLL Q99685 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
SCHEMBL4202301 0.95 PDE4B (0.45) PDE4BCHRM3MAPK14CHRM2CHRM1
SCHEMBL4098861 0.94 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4106594 0.94 PDE4B (0.43) PDE4BCHRM3MAPK14CHRM2CHRM1
SCHEMBL4093251 0.93 PDE4B (0.43) PDE4BCHRM3
SCHEMBL4099311 0.92 PDE4B (0.47) PDE4BCHRM3MAPK14
SCHEMBL4088630 0.91 PDE4B (0.46) PDE4BCHRM3MAPK14
SCHEMBL4087624 0.91 CHRM3 (0.47) PDE4BCHRM3CHRM2CHRM1
SCHEMBL3429267 0.91 CHRM3 (0.47) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4098011 0.91 PDE4B (0.45) PDE4BCHRM3MAPK14CHRM2CHRM1
SCHEMBL4095135 0.91 PDE4B (0.46) PDE4BCHRM3MAPK14

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 8/4885MAPK14 3267/4885

“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.