SCHEMBL4095093

SCHEMBL4095093

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CC4CCNCC4)c3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.46
CHRM3 P20309 7/20 0.45
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
KCNH2 Q12809 1/20 0.45
MMP13 P45452 1/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL1364219 0.94 CHRM3 (0.51) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL8007729 0.94 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4099149 0.94 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4098467 0.94 PDE4B (0.50) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4095656 0.93 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4098977 0.93 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL13750942 0.93 PDE4B (0.43) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4101319 0.92 PDE4B (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4102802 0.92 CHRM3 (0.47) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4102602 0.90 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2

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.