SCHEMBL3428516

SCHEMBL3428516

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.39
CHRM3 P20309 3/20 0.34
PDE5A O76074 3/20 0.33
MAPK1 P28482 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNH2 Q12809 1/20 0.33
CTSD P07339 1/20 0.32

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
SCHEMBL4356962 0.94 PDE4B (0.39) PDE4BPDE5AMAPK1CTSD
SCHEMBL3428251 0.94 PDE4B (0.43) PDE4BCHRM3MAPK1CHRM2CHRM1
SCHEMBL3426907 0.93 PDE4B (0.41) PDE4BCHRM3MAPK1CHRM2CHRM1
SCHEMBL3428370 0.93 PDE4B (0.40) PDE4BCHRM3MAPK1CHRM2CHRM1
SCHEMBL8002739 0.90 PDE4B (0.43) PDE4BCHRM3PDE5AMAPK1CHRM2
SCHEMBL13750941 0.90 PDE4B (0.42) PDE4BCHRM3PDE5AMAPK1CHRM2
SCHEMBL3427552 0.89 PDE4B (0.39) PDE4BCHRM3MAPK1CHRM2CHRM1
SCHEMBL4101319 0.87 PDE4B (0.45) PDE4BCHRM3PDE5ACHRM2CHRM1
SCHEMBL4349726 0.87 PDE4B (0.43) PDE4BMAPK1
SCHEMBL4354620 0.87 PDE4B (0.41) PDE4BMAPK1

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
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100167-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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A PDE4B 2/4885CHRM3 20/4885PDE5A 18/4885

“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.