SCHEMBL3754556

SCHEMBL3754556

O=C1O[C@]2(CC[C@@H](C(=O)O)CC2)CN1c1cccnn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.54
GRM5 P41594 5/20 0.43
HSD11B1 P28845 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRL1 P41146 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
SCHEMBL3004620 1.00 NPY5R (0.54) NPY5RGRM5HSD11B1OPRM1OPRL1
SCHEMBL3004622 1.00 NPY5R (0.54) NPY5RGRM5HSD11B1OPRM1OPRL1
Lithium Ion SCHEMBL2999452 0.89 NPY5R (0.52) NPY5RGRM5
Lithium Ion SCHEMBL2999454 0.89 NPY5R (0.52) NPY5RGRM5
SCHEMBL3012961 0.85 NPY5R (0.55) NPY5RGRM5OPRM1
SCHEMBL3743798 0.85 NPY5R (0.55) NPY5RGRM5OPRM1
SCHEMBL3012959 0.85 NPY5R (0.55) NPY5RGRM5OPRM1
SCHEMBL13045661 0.84 NPY5R (0.52) NPY5RGRM5HSD11B1
SCHEMBL3741649 0.84 NPY5R (0.61) NPY5RGRM5
SCHEMBL3741651 0.84 NPY5R (0.61) NPY5RGRM5

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-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders BENTLEY JONATHAN 2010-11-11 US disclosed
EP-2118097-A1 1-OXA-3-AZASPIRO[4,5]DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 US disclosed
WO-2008092888-A1 1-OXA-3-AZASPIRO[4,5]DECAN--2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092891-A1 1-OXA-3-AZASPIRO(4.5)DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 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 (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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R NPY5R 3/4885GRM5 332/4885HSD11B1 404/4885
US-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R NPY5R 1/4885GRM5 25/4885HSD11B1 1243/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R NPY5R 1/4885GRM5 176/4885HSD11B1 202/4885

“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.