SCHEMBL3027552

SCHEMBL3027552

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.52
KCNH2 Q12809 3/20 0.48
ADRA1A P35348 2/20 0.48
HSD11B1 P28845 1/20 0.47
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL13045562 1.00 NPY5R (0.52) NPY5RKCNH2ADRA1AHSD11B1CYP2C19
SCHEMBL13045628 1.00 NPY5R (0.52) NPY5RKCNH2ADRA1AHSD11B1CYP2C19
SCHEMBL3036527 0.87 HSD11B1 (0.48) NPY5RKCNH2HSD11B1CYP2C19ALDH1A1
SCHEMBL13045661 0.87 NPY5R (0.52) NPY5RKCNH2ADRA1AHSD11B1CYP2C19
SCHEMBL13728989 0.86 NPY5R (0.46) NPY5RKCNH2HSD11B1OPRM1SIGMAR1
SCHEMBL13045583 0.86 NPY5R (0.46) NPY5RKCNH2HSD11B1OPRM1SIGMAR1
SCHEMBL3032797 0.86 NPY5R (0.51) NPY5RKCNH2ADRA1AHSD11B1ALDH1A1
SCHEMBL3030982 0.85 NPY5R (0.51) NPY5RKCNH2HSD11B1CYP2C19ALDH1A1
SCHEMBL3040234 0.84 NPY5R (0.51) NPY5RKCNH2ADRA1AHSD11B1ALDH1A1
SCHEMBL3025876 0.84 NPY5R (0.51) NPY5RKCNH2ADRA1AHSD11B1ALDH1A1

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-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R NPY5R 3/4885KCNH2 1056/4885ADRA1A 335/4885
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists NPY5R, NPY4R, NPY1R NPY5R 1/4885KCNH2 315/4885ADRA1A 340/4885

“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.