SCHEMBL1364054

SCHEMBL1364054

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)N(C)Cc2ccc(F)c(-c3cccc(CC4CCNCC4)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.45
CHRM2 P08172 5/20 0.45
CHRM1 P11229 5/20 0.45
KCNH2 Q12809 1/20 0.45
PDE4B Q07343 6/20 0.43

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) CHRM3CHRM2CHRM1KCNH2PDE4B
SCHEMBL1364848 0.92 CHRM3 (0.47) CHRM3CHRM2CHRM1KCNH2PDE4B
SCHEMBL1364224 0.90 PDE4B (0.40) CHRM3CHRM2CHRM1KCNH2PDE4B
SCHEMBL1364403 0.89 PDE4B (0.45) CHRM3CHRM2CHRM1KCNH2PDE4B
SCHEMBL4095093 0.89 PDE4B (0.46) CHRM3CHRM2CHRM1KCNH2PDE4B
SCHEMBL8007729 0.88 PDE4B (0.44) CHRM3CHRM2CHRM1KCNH2PDE4B
SCHEMBL1364059 0.88 PDE4B (0.46) CHRM3CHRM2CHRM1KCNH2PDE4B
SCHEMBL1364378 0.88 CHRM3 (0.49) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1365092 0.88 PDE4B (0.50) CHRM3CHRM2CHRM1KCNH2PDE4B
SCHEMBL1362976 0.87 CHRM3 (0.49) CHRM3CHRM2CHRM1KCNH2

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 CHRM3 5/4885CHRM2 4/4885CHRM1 10/4885

“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.