SCHEMBL4098011

SCHEMBL4098011

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(C)c(-c3cccc(CN4CC[C@H](N)C4)c3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
CHRM3 P20309 2/20 0.36
MAPK14 Q16539 1/20 0.35
PIK3CD O00329 1/20 0.35
EZH2 Q15910 2/20 0.33
MAPK1 P28482 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL4103839 0.94 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4098825 0.94 PDE4B (0.44) PDE4BCHRM3PIK3CDMAPK1CHRM2
SCHEMBL4350076 0.94 PDE4B (0.43) PDE4BCHRM3MAPK14PIK3CDMAPK1
SCHEMBL4354449 0.94 PDE4B (0.43) PDE4BCHRM3MAPK14PIK3CDMAPK1
SCHEMBL1363419 0.93 PDE4B (0.44) PDE4BCHRM3MAPK14PIK3CDCHRM2
SCHEMBL4099141 0.93 PDE4B (0.43) PDE4BCHRM3
SCHEMBL4099311 0.93 PDE4B (0.47) PDE4BCHRM3MAPK14PIK3CDMAPK1
SCHEMBL4088626 0.92 PDE4B (0.46) PDE4BCHRM3MAPK14PIK3CDEZH2
SCHEMBL4088630 0.92 PDE4B (0.46) PDE4BCHRM3MAPK14EZH2
SCHEMBL4087624 0.91 CHRM3 (0.47) PDE4BCHRM3CHRM2CHRM1

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 8/4885MAPK14 3267/4885

“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.