SCHEMBL4095135

SCHEMBL4095135

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(C)c(-c3cccc(CN4CCN(C(C)=O)CC4)c3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
CHRM3 P20309 3/20 0.38
MAPK14 Q16539 1/20 0.37
PIK3CD O00329 1/20 0.35
MMP13 P45452 2/20 0.34
ENPP2 Q13822 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
SCHEMBL4099311 0.96 PDE4B (0.47) PDE4BCHRM3MAPK14PIK3CDMMP13
SCHEMBL4088630 0.95 PDE4B (0.46) PDE4BCHRM3MAPK14
SCHEMBL4088626 0.94 PDE4B (0.46) PDE4BCHRM3MAPK14PIK3CDMMP13
SCHEMBL4092620 0.94 PDE4B (0.45) PDE4BCHRM3PIK3CDMMP13ENPP2
SCHEMBL4093462 0.94 PDE4B (0.45) PDE4BCHRM3
SCHEMBL4355997 0.94 PDE4B (0.44) PDE4BCHRM3MAPK14PIK3CDENPP2
SCHEMBL4358207 0.94 PDE4B (0.44) PDE4BCHRM3MAPK14PIK3CDENPP2
SCHEMBL1364890 0.93 PDE4B (0.45) PDE4BCHRM3MAPK14PIK3CD
SCHEMBL3431618 0.93 PDE4B (0.46) PDE4BCHRM3MAPK14
SCHEMBL4088336 0.93 PDE4B (0.44) 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 4 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 claimed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
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.