SCHEMBL13045573

SCHEMBL13045573

CCOC(=O)C1CCC2(CC1)CN(c1ccccc1F)C(=O)O2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
HSD11B1 P28845 1/20 0.48
NPY5R Q15761 11/20 0.47
KCNH2 Q12809 2/20 0.47
ADRA1A P35348 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SSTR5 P35346 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL3028745 1.00 HTT (0.48) HTTHSD11B1NPY5RKCNH2ADRA1A
SCHEMBL3026796 0.89 HSD11B1 (0.49) HSD11B1NPY5RSMN1; SMN2KDM4EALDH1A1
SCHEMBL3036715 0.88 HSD11B1 (0.48) HSD11B1NPY5RKCNH2SMN1; SMN2KDM4E
SCHEMBL3032395 0.86 NPY5R (0.51) HSD11B1NPY5RKCNH2ADRA1AKDM4E
SCHEMBL3021457 0.85 HSD11B1 (0.51) HSD11B1NPY5RKCNH2ADRA1ASMN1; SMN2
SCHEMBL13045544 0.85 HSD11B1 (0.51) HSD11B1NPY5RKCNH2ADRA1ASMN1; SMN2
SCHEMBL2998466 0.85 HSD11B1 (0.51) HSD11B1NPY5RKCNH2ADRA1ASMN1; SMN2
SCHEMBL3030982 0.84 NPY5R (0.51) HSD11B1NPY5RKCNH2KDM4EPOLB
SCHEMBL3031924 0.83 NPY5R (0.48) HSD11B1NPY5RKCNH2ADRA1AKMT2A
SCHEMBL3031925 0.83 NPY5R (0.48) HSD11B1NPY5RKCNH2ADRA1AKMT2A

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 HTT 1064/4885HSD11B1 1243/4885NPY5R 1/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R HTT 1540/4885HSD11B1 202/4885NPY5R 1/4885

“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.