SCHEMBL10114396

SCHEMBL10114396

CC(C)(O)c1ccc(NC(=O)[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.60
NAMPT P43490 1/20 0.48
ENPP3 O14638 4/20 0.46
ENPP1 P22413 4/20 0.46
LMNA P02545 2/20 0.45
GLA P06280 1/20 0.45
ENPP2 Q13822 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
EPHX2 P34913 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL10134426 1.00 NPY5R (0.60) NPY5RNAMPTENPP3ENPP1LMNA
SCHEMBL10133217 0.91 NPY5R (0.61) NPY5RNAMPTENPP3ENPP1LMNA
SCHEMBL10114310 0.91 NPY5R (0.61) NPY5RNAMPTENPP3ENPP1LMNA
SCHEMBL13203872 0.89 NPY5R (0.72) NPY5RNAMPTENPP3ENPP1ENPP2
SCHEMBL10113370 0.89 NPY5R (0.72) NPY5RNAMPTENPP3ENPP1ENPP2
SCHEMBL10114400 0.88 NPY5R (0.56) NPY5RNAMPTENPP3ENPP1LMNA
SCHEMBL10134413 0.88 NPY5R (0.56) NPY5RNAMPTENPP3ENPP1LMNA
SCHEMBL14424621 0.87 LMNA (0.60) NPY5RNAMPTENPP3ENPP1LMNA
SCHEMBL10114303 0.87 NPY5R (0.57) NPY5RNAMPTENPP3ENPP1LMNA
SCHEMBL10134439 0.87 NPY5R (0.57) NPY5RNAMPTENPP3ENPP1LMNA

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R NPY5R 1/4885NAMPT 2678/4885ENPP3 3334/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885NAMPT 2350/4885ENPP3 3225/4885

“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.