SCHEMBL3036032

SCHEMBL3036032

O=C1O[C@]2(CC[C@H](C(=O)O)CC2)CN1c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.48
KCNH2 Q12809 2/20 0.48
SSTR5 P35346 13/20 0.46
ADRA1A P35348 2/20 0.46
NOTUM Q6P988 1/20 0.44
HSD11B1 P28845 1/20 0.42
OPRM1 P35372 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL3673029 1.00 NPY5R (0.48) NPY5RKCNH2SSTR5ADRA1ANOTUM
SCHEMBL3000010 0.88 OPRM1 (0.53) NPY5RKCNH2SSTR5ADRA1ANOTUM
SCHEMBL2995097 0.88 OPRM1 (0.53) NPY5RKCNH2SSTR5ADRA1ANOTUM
SCHEMBL2999026 0.88 OPRM1 (0.53) NPY5RKCNH2SSTR5ADRA1ANOTUM
SCHEMBL3032058 0.83 HSD11B1 (0.49) NPY5RKCNH2SSTR5ADRA1AHSD11B1
SCHEMBL3037653 0.83 HSD11B1 (0.49) NPY5RKCNH2SSTR5ADRA1AHSD11B1
SCHEMBL3737532 0.82 NPY5R (0.48) NPY5RKCNH2SSTR5ADRA1AHSD11B1
SCHEMBL3737534 0.82 NPY5R (0.48) NPY5RKCNH2SSTR5ADRA1AHSD11B1
SCHEMBL3745824 0.81 NPY5R (0.51) NPY5RKCNH2SSTR5ADRA1AHSD11B1
SCHEMBL3745821 0.81 NPY5R (0.51) NPY5RKCNH2SSTR5ADRA1AHSD11B1

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 11 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
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
EP-2139861-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS Glaxo Group Limited (GB) 2010-01-06 EP 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-2008129007-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008129007-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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
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-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R NPY5R 1/4885KCNH2 3498/4885SSTR5 5/4885
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists NPY5R, NPY4R, NPY1R NPY5R 1/4885KCNH2 315/4885SSTR5 5/4885
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 1865/4885SSTR5 5/4885

“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.