SCHEMBL1364353

SCHEMBL1364353

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(Cl)c(-c3cccc(CN4CCN(C(C)=O)CC4)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.44
CHRM3 P20309 5/20 0.39
PIK3CD O00329 1/20 0.35
NR3C1 P04150 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL4191247 0.96 PDE4B (0.45) PDE4BCHRM3PIK3CDNR3C1
SCHEMBL1362652 0.95 PDE4B (0.44) PDE4BCHRM3PIK3CDNR3C1
SCHEMBL1363664 0.94 PDE4B (0.45) PDE4BCHRM3PIK3CDNR3C1
SCHEMBL1364890 0.94 PDE4B (0.45) PDE4BCHRM3PIK3CDCHRM2CHRM1
SCHEMBL1364928 0.94 PDE4B (0.48) PDE4BCHRM3
SCHEMBL1362521 0.94 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1
SCHEMBL1363478 0.94 CHRM3 (0.44) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4198680 0.93 PDE4B (0.42) PDE4BCHRM3PIK3CD
SCHEMBL4092620 0.93 PDE4B (0.45) PDE4BCHRM3PIK3CDNR3C1HSP90AA1
SCHEMBL1363074 0.93 PDE4B (0.41) PDE4BCHRM3PIK3CDNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885PIK3CD 1334/4885

“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.