SCHEMBL3399340

SCHEMBL3399340

C[C@H]1CN(Cc2cccc(-c3cc(CN)ccn3)c2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
WNK1 Q9H4A3 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
KDR P35968 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
FAAH O00519 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL3401374 0.89 MGLL (0.47) MGLLPTGDR2DRD2DRD4FAAH
SCHEMBL1362603 0.87 HDAC1 (0.39) MGLLLOXL2WNK1
SCHEMBL12062821 0.87 MGLL (0.37) MGLLLOXL2HCRTR1HCRTR2WNK1
SCHEMBL3398494 0.85 MLNR (0.43) MGLLHCRTR2FAAH
SCHEMBL4052726 0.83 CHRM3 (0.45) MGLLHCRTR1HCRTR2PTGDR2FAAH
SCHEMBL3395625 0.81 CHRM3 (0.49) MGLL
SCHEMBL4049340 0.78 MGLL (0.43) MGLLPTGDR2DRD2DRD4FAAH
SCHEMBL4208304 0.78 CYP2E1 (0.42) MGLLPTGDR2FAAH
SCHEMBL4049724 0.78 CHRM3 (0.46) MGLLPTGDR2FAAH
SCHEMBL12143350 0.77 HDAC1 (0.41) MGLLWNK1

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 7 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
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP 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
WO-2009100166-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-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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B MGLL 1471/4885LOXL2 2854/4885HCRTR1 535/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 MGLL 2412/4885LOXL2 1910/4885HCRTR1 226/4885

“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.