SCHEMBL4098861

SCHEMBL4098861

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN(C(=O)O)[C@@H](C)C4)c3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.44
CHRM3 P20309 18/20 0.44
CHRM2 P08172 6/20 0.40
CHRM1 P11229 6/20 0.40
KCNH2 Q12809 1/20 0.39

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 0.95 CHRM3 (0.49) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL3428634 0.95 PDE4B (0.43) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4094859 0.94 PDE4B (0.45) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4190753 0.94 PDE4B (0.48) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4106585 0.94 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4104293 0.93 CHRM3 (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4095227 0.93 CHRM3 (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL3430634 0.93 CHRM3 (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4350728 0.93 PDE4B (0.42) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4093251 0.93 PDE4B (0.43) PDE4BCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B PDE4B 3/4885CHRM3 8/4885CHRM2 7/4885

“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.