SCHEMBL3740534

SCHEMBL3740534

C[C@]1(C=O)CC[C@]2(CC1)CN(c1ccccn1)C(=O)O2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.50
NPY5R Q15761 13/20 0.48
KCNH2 Q12809 3/20 0.45
ADRA1A P35348 2/20 0.45
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL14094863 1.00 GRM5 (0.50) GRM5NPY5RKCNH2ADRA1ACYP1A2
SCHEMBL3740531 1.00 GRM5 (0.50) GRM5NPY5RKCNH2ADRA1ACYP1A2
SCHEMBL3741402 1.00 GRM5 (0.50) GRM5NPY5RKCNH2ADRA1ACYP1A2
SCHEMBL3741395 0.85 NPY5R (0.52) GRM5NPY5RKCNH2ADRA1A
SCHEMBL3743229 0.82 NPY5R (0.50) GRM5NPY5RKCNH2ADRA1ACYP1A2
SCHEMBL14094853 0.82 NPY5R (0.50) GRM5NPY5RKCNH2ADRA1ACYP1A2
SCHEMBL3739097 0.82 NPY5R (0.50) GRM5NPY5RKCNH2ADRA1ACYP1A2
SCHEMBL3739093 0.82 NPY5R (0.50) GRM5NPY5RKCNH2ADRA1ACYP1A2
SCHEMBL13079376 0.82 GRM5 (0.62) GRM5NPY5RKCNH2ADRA1ACYP1A2
SCHEMBL3747754 0.81 NPY5R (0.56) GRM5NPY5RKCNH2ADRA1A

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
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-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
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 US 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 GRM5 25/4885NPY5R 1/4885KCNH2 3498/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R GRM5 176/4885NPY5R 1/4885KCNH2 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.