SCHEMBL4356015

SCHEMBL4356015

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCCC(=O)NCc1cccc(-c2cccc(CN3CCN(C(=O)O)[C@@H](C)C3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.46
MAPK1 P28482 2/20 0.36
AVPR1B P47901 1/20 0.34
ROCK2 O75116 1/20 0.33
ENPP2 Q13822 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL3425104 0.92 PDE4B (0.48) PDE4BCHRM3
SCHEMBL13761019 0.92 PDE4B (0.42) PDE4BMAPK1ROCK2
SCHEMBL13750901 0.92 PDE4B (0.42) PDE4BMAPK1ROCK2
SCHEMBL4195666 0.91 PDE4B (0.47) PDE4BMAPK1CHRM3
SCHEMBL13750917 0.90 PDE4B (0.45) PDE4BCHRM3
SCHEMBL3428634 0.89 PDE4B (0.43) PDE4BCHRM3
SCHEMBL3425551 0.88 PDE4B (0.42) PDE4BENPP2CHRM3
SCHEMBL4350728 0.87 PDE4B (0.42) PDE4BCHRM3
SCHEMBL4354865 0.87 PDE4B (0.42) PDE4BMAPK1ENPP2CHRM3
SCHEMBL4094859 0.87 PDE4B (0.45) 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-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090203677-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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A PDE4B 2/4885MAPK1 1268/4885AVPR1B 1047/4885

“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.