SCHEMBL1363074

SCHEMBL1363074

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(Cl)c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.41
ADORA2A P29274 1/20 0.36
CHRM3 P20309 1/20 0.35
CCNT1 O60563 1/20 0.34
TP53 P04637 5/20 0.34
PIK3CD O00329 1/20 0.34
LMNA P02545 1/20 0.34
ENPP2 Q13822 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C1 P04150 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
SCHEMBL4191247 0.93 PDE4B (0.45) PDE4BCHRM3PIK3CDENPP2NR3C1
SCHEMBL1364353 0.93 PDE4B (0.44) PDE4BCHRM3PIK3CDNR3C1
SCHEMBL1362652 0.92 PDE4B (0.44) PDE4BCHRM3PIK3CDNR3C1
SCHEMBL1363664 0.92 PDE4B (0.45) PDE4BCHRM3PIK3CDENPP2NR3C1
SCHEMBL1362521 0.91 PDE4B (0.44) PDE4BCHRM3
SCHEMBL1362398 0.90 PDE4B (0.46) PDE4BADORA2ACHRM3
SCHEMBL4198680 0.90 PDE4B (0.42) PDE4BCHRM3PIK3CD
SCHEMBL1362509 0.90 PDE4B (0.47) PDE4BADORA2ACHRM3
SCHEMBL13761237 0.89 PDE4B (0.48) PDE4BNR3C1
SCHEMBL1363066 0.89 PDE4B (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
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 PDE4B 1/4885ADORA2A 179/4885CHRM3 5/4885

“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.