SCHEMBL1362389

SCHEMBL1362389

C[C@H]1CN(Cc2cccc(-c3cccc(CN)c3)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.41
NR1H2 P55055 7/20 0.40
NR1H3 Q13133 5/20 0.40
HDAC1 Q13547 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
PRMT6 Q96LA8 1/20 0.39
MAP4K4 O95819 1/20 0.39
DPP4 P27487 1/20 0.39
RXRA P19793 3/20 0.39

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
SCHEMBL13761160 0.90 CHRM3 (0.46)
SCHEMBL1365233 0.90 CHRM3 (0.46)
SCHEMBL1362603 0.90 HDAC1 (0.39) MGLLHDAC1GPR119MAP4K4
SCHEMBL1632730 0.89 MGLL (0.40) MGLLNR1H2NR1H3HDAC1SETD7
SCHEMBL1632744 0.89 CHRM3 (0.43) MGLLNR1H2NR1H3HDAC1SETD7
SCHEMBL1631722 0.89 CHRM3 (0.40) MGLLNR1H2NR1H3HDAC1SETD7
SCHEMBL1633735 0.87 CHRM3 (0.42) MGLLNR1H2NR1H3HDAC1SETD7
SCHEMBL3401374 0.85 MGLL (0.47) MGLLPRMT6
SCHEMBL13758215 0.85 MGLL (0.40) MGLLPRMT6
SCHEMBL1632681 0.84 POLB (0.47) MGLLNR1H2NR1H3SETD7GPR119

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 10 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-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
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US 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
WO-2009100167-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
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 (2 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 MGLL 2465/4885NR1H2 319/4885NR1H3 460/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 MGLL 2412/4885NR1H2 219/4885NR1H3 304/4885

“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.