SCHEMBL3025876

SCHEMBL3025876

CCOC(=O)[C@H]1CC[C@]2(CC1)CN(c1cccc(F)n1)C(=O)O2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.51
ADRA1A P35348 4/20 0.51
KCNH2 Q12809 4/20 0.51
HSD11B1 P28845 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 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
SCHEMBL3040234 1.00 NPY5R (0.51) NPY5RADRA1AKCNH2HSD11B1SMN1; SMN2
SCHEMBL3032797 0.90 NPY5R (0.51) NPY5RADRA1AKCNH2HSD11B1KDM4E
SCHEMBL3668430 0.84 NPY5R (0.54) NPY5RADRA1AKCNH2HSD11B1
SCHEMBL3668431 0.84 NPY5R (0.54) NPY5RADRA1AKCNH2HSD11B1
SCHEMBL13045628 0.84 NPY5R (0.52) NPY5RADRA1AKCNH2HSD11B1ALDH1A1
SCHEMBL13045562 0.84 NPY5R (0.52) NPY5RADRA1AKCNH2HSD11B1ALDH1A1
SCHEMBL3027552 0.84 NPY5R (0.52) NPY5RADRA1AKCNH2HSD11B1ALDH1A1
SCHEMBL3028742 0.83 NPY5R (0.53) NPY5RADRA1AKCNH2HSD11B1
SCHEMBL13045661 0.83 NPY5R (0.52) NPY5RADRA1AKCNH2HSD11B1ALDH1A1
Lithium Ion SCHEMBL3021432 0.83 NPY5R (0.52) NPY5RADRA1AKCNH2

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 3 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
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 1/4885ADRA1A 340/4885KCNH2 315/4885

“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.