SCHEMBL4098059

SCHEMBL4098059

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.46
CHRM3 P20309 1/20 0.35
NR3C1 P04150 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP13 P45452 2/20 0.34
NTRK1 P04629 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
SCHEMBL4098121 0.94 PDE4B (0.46) PDE4BCHRM3NR3C1MAPK1
SCHEMBL4087992 0.94 PDE4B (0.46) PDE4BCHRM3MAPK1MMP13NTRK1
SCHEMBL4351289 0.94 PDE4B (0.44) PDE4BCHRM3MAPK1NTRK1
SCHEMBL4358022 0.94 PDE4B (0.44) PDE4BCHRM3MAPK1
SCHEMBL1363061 0.93 PDE4B (0.45) PDE4BCHRM3NR3C1MAPK1NTRK1
SCHEMBL4096862 0.93 PDE4B (0.45) PDE4BCHRM3MAPK1MMP13
SCHEMBL4088630 0.90 PDE4B (0.46) PDE4BCHRM3
SCHEMBL4099311 0.90 PDE4B (0.47) PDE4BCHRM3MAPK1MMP13
SCHEMBL4096933 0.89 PDE4B (0.46) PDE4BNR3C1MAPK1MMP13
SCHEMBL1363116 0.88 CHRM3 (0.46) 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 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 8/4885NR3C1 416/4885

“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.