SCHEMBL3427166

SCHEMBL3427166

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CC[C@H](N)C4)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.45
PDE4B Q07343 1/20 0.43
CHRM2 P08172 6/20 0.43
CHRM1 P11229 6/20 0.43
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1364433 0.96 CHRM3 (0.49) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL1363419 0.95 PDE4B (0.44) CHRM3PDE4BCHRM2CHRM1
SCHEMBL1363424 0.94 PDE4B (0.43) CHRM3PDE4BCHRM2CHRM1
SCHEMBL4103839 0.93 PDE4B (0.44) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL1363213 0.93 CHRM3 (0.46) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL1365043 0.93 CHRM3 (0.48) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL1364087 0.92 CHRM3 (0.46) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL4346104 0.92 PDE4B (0.43) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL1364320 0.92 CHRM3 (0.47) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL1362340 0.92 CHRM3 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP claimed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO claimed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US claimed

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 5/4885PDE4B 1/4885CHRM2 4/4885

“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.