SCHEMBL13045583

SCHEMBL13045583

CCOC(=O)C1CCC2(CC1)CN(c1cnccn1)C(=O)O2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.46
HSD11B1 P28845 1/20 0.45
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.41
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GRM5 P41594 1/20 0.39
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
P2RX7 Q99572 1/20 0.37
SSTR5 P35346 1/20 0.37

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
SCHEMBL13728989 1.00 NPY5R (0.46) NPY5RHSD11B1KDM4EGAAOPRM1
SCHEMBL13045628 0.86 NPY5R (0.52) NPY5RHSD11B1OPRM1KCNH2SIGMAR1
SCHEMBL3027552 0.86 NPY5R (0.52) NPY5RHSD11B1OPRM1KCNH2SIGMAR1
SCHEMBL13045562 0.86 NPY5R (0.52) NPY5RHSD11B1OPRM1KCNH2SIGMAR1
SCHEMBL3743258 0.84 NPY5R (0.48) NPY5RHSD11B1KDM4EOPRM1KCNH2
SCHEMBL3743255 0.84 NPY5R (0.48) NPY5RHSD11B1KDM4EOPRM1KCNH2
SCHEMBL3036527 0.83 HSD11B1 (0.48) NPY5RHSD11B1KDM4EGAAKCNH2
SCHEMBL3039606 0.83 GAA (0.49) NPY5RHSD11B1KDM4EGAAOPRM1
SCHEMBL13045661 0.83 NPY5R (0.52) NPY5RHSD11B1GAAKCNH2GRM5
SCHEMBL13045590 0.83 GAA (0.49) NPY5RHSD11B1KDM4EGAAOPRM1

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 4 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-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

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 1243/4885KDM4E 198/4885
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 202/4885KDM4E 475/4885

“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.