Sugi Predict

Sugi Predict / Compounds / SCHEMBL3747544

SCHEMBL3747544

SCHEMBL3747544

O=C1O[C@]2(CC[C@H](CO)CC2)CN1c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 18/20 0.63
▸ KCNH2 Q12809 3/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ GRM5 P41594 2/20 0.46

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
SCHEMBL3747541 1.00 NPY5R (0.63) NPY5RKCNH2ADRA1AGRM5
SCHEMBL4019363 0.88 NPY5R (0.63) NPY5RKCNH2ADRA1AGRM5
SCHEMBL4019365 0.88 NPY5R (0.63) NPY5RKCNH2ADRA1AGRM5
SCHEMBL13750586 0.85 NPY5R (0.60) NPY5RKCNH2ADRA1AGRM5
SCHEMBL3741649 0.85 NPY5R (0.61) NPY5RGRM5
SCHEMBL3741651 0.85 NPY5R (0.61) NPY5RGRM5
SCHEMBL3012961 0.83 NPY5R (0.55) NPY5RKCNH2ADRA1AGRM5
SCHEMBL3743798 0.83 NPY5R (0.55) NPY5RKCNH2ADRA1AGRM5
SCHEMBL3012959 0.83 NPY5R (0.55) NPY5RKCNH2ADRA1AGRM5
SCHEMBL3740493 0.83 NPY5R (0.54) NPY5RKCNH2GRM5

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 9 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
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 — — US 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-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
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

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 3/4885KCNH2 1056/4885ADRA1A 335/4885
US-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R NPY5R 1/4885KCNH2 3498/4885ADRA1A 435/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R NPY5R 1/4885KCNH2 1865/4885ADRA1A 299/4885

“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.