SCHEMBL3737549

SCHEMBL3737549

O=C1OC2(CCC(CO)CC2)CN1c1cncnc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 16/20 0.52
HSD11B1 P28845 1/20 0.40
KCNH2 Q12809 4/20 0.38
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GRM5 P41594 2/20 0.37
ADRA1A P35348 1/20 0.36

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
SCHEMBL3737552 1.00 NPY5R (0.52) NPY5RHSD11B1KCNH2OPRM1SIGMAR1
SCHEMBL3737525 0.85 NPY5R (0.58) NPY5RKCNH2OPRM1SIGMAR1GRM5
SCHEMBL3745078 0.85 NPY5R (0.58) NPY5RKCNH2OPRM1SIGMAR1GRM5
SCHEMBL3737524 0.85 NPY5R (0.58) NPY5RKCNH2OPRM1SIGMAR1GRM5
SCHEMBL3735573 0.82 NPY5R (0.46) NPY5RHSD11B1KCNH2OPRM1SIGMAR1
SCHEMBL3752900 0.82 NPY5R (0.46) NPY5RHSD11B1KCNH2OPRM1SIGMAR1
SCHEMBL3735571 0.82 NPY5R (0.46) NPY5RHSD11B1KCNH2OPRM1SIGMAR1
SCHEMBL3745778 0.82 NPY5R (0.45) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL13045580 0.82 NPY5R (0.45) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL3745772 0.82 NPY5R (0.45) NPY5RKCNH2OPRM1SIGMAR1ADRA1A

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 5 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-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 (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-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R NPY5R 1/4885HSD11B1 1243/4885KCNH2 3498/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R NPY5R 1/4885HSD11B1 202/4885KCNH2 1865/4885

“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.