SCHEMBL3428144

SCHEMBL3428144

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC1CC1(C(N)=O)C(=O)NCc1ccc(C)c(-c2cccc(CN3CCNCC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.40
CHRM3 P20309 9/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 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
SCHEMBL4349707 0.94 PDE4B (0.40) PDE4BCHRM3
SCHEMBL4349698 0.94 CHRM3 (0.42) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4351279 0.94 CHRM3 (0.42) PDE4BCHRM3CHRM2CHRM1
SCHEMBL3426907 0.93 PDE4B (0.41) PDE4BCHRM3CHRM2CHRM1USP28
SCHEMBL4350771 0.92 PDE4B (0.38) PDE4BCHRM3USP28USP25
SCHEMBL4354620 0.89 PDE4B (0.41) PDE4B
SCHEMBL13750946 0.89 PDE4B (0.43) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4346115 0.88 CHRM3 (0.40) PDE4BCHRM3CHRM2CHRM1
SCHEMBL4349803 0.88 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL4348675 0.88 PDE4B (0.41) PDE4B

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 6 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 claimed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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 2/4885CHRM3 20/4885CHRM2 14/4885

“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.