SCHEMBL4359955

SCHEMBL4359955

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)C1(C(=O)NCc2ccc(C)c(-c3cccc(CN4CCN(C(=O)O)C(C(C)(C)C)C4)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.41
MAPK1 P28482 2/20 0.33
CHRM3 P20309 1/20 0.32
ROCK2 O75116 1/20 0.32
ENPP2 Q13822 2/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL4106594 0.93 PDE4B (0.43) PDE4BMAPK1CHRM3ROCK2MAPK14
SCHEMBL13750935 0.89 PDE4B (0.43) PDE4BMAPK1CHRM3ENPP2MAPK14
SCHEMBL4350728 0.88 PDE4B (0.42) PDE4BCHRM3
SCHEMBL4354865 0.88 PDE4B (0.42) PDE4BMAPK1CHRM3ENPP2
SCHEMBL4359945 0.88 PDE4B (0.41) PDE4BMAPK1ROCK2ENPP2
SCHEMBL13750949 0.88 CHRM3 (0.45) PDE4BCHRM3
SCHEMBL13750948 0.88 CHRM3 (0.45) PDE4BCHRM3
SCHEMBL13750946 0.88 PDE4B (0.43) PDE4BCHRM3
SCHEMBL4094859 0.87 PDE4B (0.45) PDE4BCHRM3MAPK14
SCHEMBL4202301 0.87 PDE4B (0.45) 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-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 2/4885MAPK1 1268/4885CHRM3 20/4885

“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.