SCHEMBL3430634

SCHEMBL3430634

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN(C(=O)O)[C@@H](C)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
SCHEMBL4190920 0.96 CHRM3 (0.49) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL4106585 0.95 CHRM3 (0.46) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL4195666 0.94 PDE4B (0.47) CHRM3PDE4B
SCHEMBL4098861 0.93 PDE4B (0.44) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL3428634 0.93 PDE4B (0.43) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL1363352 0.93 CHRM3 (0.43) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL1363213 0.93 CHRM3 (0.46) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL4190753 0.92 PDE4B (0.48) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL4104293 0.92 CHRM3 (0.45) CHRM3PDE4BCHRM2CHRM1KCNH2
SCHEMBL4095227 0.92 CHRM3 (0.45) CHRM3PDE4BCHRM2CHRM1KCNH2

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 disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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 5/4885PDE4B 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.