SCHEMBL4098977

SCHEMBL4098977

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CC4CCN(C)CC4)c3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
CHRM3 P20309 5/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
KCNH2 Q12809 1/20 0.38
MMP13 P45452 1/20 0.36
MAPK1 P28482 2/20 0.35
RPS6KA1 Q15418 1/20 0.35

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
SCHEMBL8014793 0.94 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4096933 0.94 PDE4B (0.46) PDE4BMMP13MAPK1
SCHEMBL4098533 0.94 PDE4B (0.50) PDE4BMMP13MAPK1
SCHEMBL4095093 0.93 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4098183 0.93 PDE4B (0.46) PDE4BMMP13MAPK1RPS6KA1
SCHEMBL13750931 0.93 PDE4B (0.43) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4088322 0.92 PDE4B (0.45) PDE4BCHRM3MMP13
SCHEMBL4087812 0.92 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL3431327 0.91 PDE4B (0.42) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4093587 0.90 CHRM3 (0.47) PDE4BCHRM3CHRM2CHRM1

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 9 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-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
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
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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 8/4885CHRM2 7/4885

“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.