SCHEMBL4093587

SCHEMBL4093587

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCCN(C)CC4)c3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.47
PDE4B Q07343 3/20 0.44
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
WDR5 P61964 1/20 0.37
SLC2A1 P11166 1/20 0.36

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
SCHEMBL4087812 0.98 PDE4B (0.46) CHRM3PDE4BCHRM2CHRM1WDR5
SCHEMBL4087829 0.95 PDE4B (0.46) CHRM3PDE4BCHRM2CHRM1
SCHEMBL4095075 0.94 PDE4B (0.46) CHRM3PDE4BCHRM2CHRM1
SCHEMBL4088336 0.94 PDE4B (0.44) CHRM3PDE4B
SCHEMBL4355127 0.94 CHRM3 (0.46) CHRM3PDE4BCHRM2CHRM1WDR5
SCHEMBL3429101 0.94 PDE4B (0.48) CHRM3PDE4B
SCHEMBL4087785 0.94 PDE4B (0.44) CHRM3PDE4B
SCHEMBL1363220 0.93 CHRM3 (0.49) CHRM3PDE4BCHRM2CHRM1WDR5
SCHEMBL4362683 0.93 CHRM3 (0.45) CHRM3PDE4BCHRM2CHRM1WDR5
SCHEMBL4093462 0.93 PDE4B (0.45) CHRM3PDE4BCHRM2CHRM1

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 CHRM3 8/4885PDE4B 3/4885CHRM2 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.