SCHEMBL3426907

SCHEMBL3426907

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC1CC1(C(N)=O)C(=O)NCc1ccc(C)c(-c2cccc(CC3CCNCC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.41
MAPK1 P28482 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP28 Q96RU2 1/20 0.31
USP25 Q9UHP3 1/20 0.31
PDE7A Q13946 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL3428251 0.95 PDE4B (0.43) PDE4BMAPK1CHRM2CHRM1CHRM3
SCHEMBL3428370 0.94 PDE4B (0.40) PDE4BMAPK1CHRM2CHRM1CHRM3
SCHEMBL4354620 0.94 PDE4B (0.41) PDE4BMAPK1PDE7APIK3CA
SCHEMBL3428516 0.93 PDE4B (0.39) PDE4BMAPK1CHRM2CHRM1CHRM3
SCHEMBL3428144 0.93 PDE4B (0.40) PDE4BCHRM2CHRM1CHRM3USP28
SCHEMBL3427552 0.90 PDE4B (0.39) PDE4BMAPK1CHRM2CHRM1CHRM3
SCHEMBL8003330 0.90 PDE4B (0.45) PDE4BMAPK1CHRM2CHRM1CHRM3
SCHEMBL13750944 0.90 PDE4B (0.43) PDE4BMAPK1CHRM2CHRM1CHRM3
SCHEMBL4350771 0.89 PDE4B (0.38) PDE4BMAPK1CHRM3USP28USP25
SCHEMBL4348675 0.89 PDE4B (0.41) PDE4BMAPK1PDE7A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US claimed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP claimed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO claimed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090203677-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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A PDE4B 2/4885MAPK1 1268/4885CHRM2 14/4885

“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.