SCHEMBL1364974

SCHEMBL1364974

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(OC)c(-c3cccc(CN4C[C@@H]5CC4CN5)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.41
CHRM3 P20309 5/20 0.41
PDE5A O76074 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
WDR5 P61964 1/20 0.32
NR3C1 P04150 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 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
SCHEMBL1364970 1.00 PDE4B (0.41) PDE4BCHRM3PDE5ATLR7WDR5
SCHEMBL1362408 0.96 CHRM3 (0.43) PDE4BCHRM3PDE5ATLR7CHRM2
SCHEMBL1362404 0.96 CHRM3 (0.43) PDE4BCHRM3PDE5ATLR7CHRM2
SCHEMBL1364109 0.94 PDE4B (0.42) PDE4BCHRM3NR3C1CHRM2CHRM1
SCHEMBL4103277 0.93 PDE4B (0.42) PDE4BCHRM3PDE5ATLR7
SCHEMBL4103281 0.93 PDE4B (0.42) PDE4BCHRM3PDE5ATLR7
SCHEMBL1363785 0.93 CHRM3 (0.47) PDE4BCHRM3NR3C1
SCHEMBL1363784 0.93 CHRM3 (0.47) PDE4BCHRM3NR3C1
SCHEMBL1364717 0.93 PDE4B (0.42) PDE4BCHRM3CHRM2CHRM1
SCHEMBL1364714 0.93 PDE4B (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US claimed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US claimed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 PDE4B 1/4885CHRM3 5/4885PDE5A 32/4885

“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.