SCHEMBL1362326

SCHEMBL1362326

CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(CN)ccc3F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
IDO2 Q6ZQW0 1/20 0.45
TBK1 Q9UHD2 2/20 0.44
CHRM3 P20309 9/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
GLS O94925 2/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL1362969 0.89 FAAH (0.49) TBK1CHRM3CHRM2CHRM1GLS
SCHEMBL1362848 0.89 CHRM3 (0.48) IDO1TDO2IDO2TBK1CHRM3
SCHEMBL13761160 0.86 CHRM3 (0.46) CHRM3CHRM2CHRM1
SCHEMBL1365233 0.86 CHRM3 (0.46) CHRM3CHRM2CHRM1
SCHEMBL24732680 0.85 PRMT6 (0.54) IDO1TDO2IDO2TBK1CHRM3
SCHEMBL3403259 0.85 ALOX15 (0.45) CHRM3CHRM2CHRM1KDM4EALDH1A1
SCHEMBL1362266 0.82 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL1363889 0.82 CHRM3 (0.59) CHRM3CHRM2CHRM1
SCHEMBL1365190 0.81 CHRM3 (0.59) CHRM3CHRM2CHRM1
SCHEMBL1362314 0.81 CHRM3 (0.59) CHRM3CHRM2CHRM1

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 18 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-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
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
EP-2249646-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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US 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 (3 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 IDO1 171/4885TDO2 674/4885IDO2 107/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B IDO1 899/4885TDO2 1444/4885IDO2 769/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 IDO1 194/4885TDO2 934/4885IDO2 153/4885

“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.