SCHEMBL3041083

SCHEMBL3041083

O=C1O[C@]2(CC[C@H](C(=O)O)CC2)CN1c1cccnc1F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.54
KCNH2 Q12809 3/20 0.51
HSD11B1 P28845 1/20 0.39
ADRA1A P35348 1/20 0.38

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
SCHEMBL3032826 1.00 NPY5R (0.54) NPY5RKCNH2HSD11B1ADRA1A
SCHEMBL3032824 1.00 NPY5R (0.54) NPY5RKCNH2HSD11B1ADRA1A
Lithium Ion SCHEMBL3026578 0.89 NPY5R (0.52) NPY5RKCNH2ADRA1A
SCHEMBL3026756 0.87 NPY5R (0.52) NPY5RKCNH2HSD11B1
SCHEMBL3026753 0.87 NPY5R (0.52) NPY5RKCNH2HSD11B1
SCHEMBL3032395 0.85 NPY5R (0.51) NPY5RKCNH2HSD11B1ADRA1A
SCHEMBL3031925 0.84 NPY5R (0.48) NPY5RKCNH2HSD11B1ADRA1A
SCHEMBL3031924 0.84 NPY5R (0.48) NPY5RKCNH2HSD11B1ADRA1A
SCHEMBL3038328 0.82 KDM4E (0.48) NPY5RKCNH2HSD11B1ADRA1A
SCHEMBL3722689 0.82 NPY5R (0.52) NPY5RKCNH2

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 5 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-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
WO-2008129007-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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 (1 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-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists NPY5R, NPY4R, NPY1R NPY5R 1/4885KCNH2 315/4885HSD11B1 1359/4885

“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.