SCHEMBL12864673

SCHEMBL12864673

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.58
KMT2A Q03164 4/20 0.54
FAAH O00519 1/20 0.50
EPHX2 P34913 1/20 0.50
ENPP3 O14638 3/20 0.49
ENPP1 P22413 2/20 0.49
ENPP2 Q13822 2/20 0.49
NAMPT P43490 1/20 0.49
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL10113061 1.00 NPY5R (0.58) NPY5RKMT2AFAAHEPHX2ENPP3
SCHEMBL13203719 0.88 NAMPT (0.66) NPY5RKMT2ANAMPTLMNAGLA
SCHEMBL10114575 0.88 LMNA (0.60) NPY5RKMT2AENPP3ENPP1ENPP2
SCHEMBL10133451 0.88 NPY5R (0.57) NPY5RKMT2AFAAHEPHX2ENPP3
SCHEMBL14424621 0.88 LMNA (0.60) NPY5RKMT2AENPP3ENPP1ENPP2
SCHEMBL10113101 0.88 NAMPT (0.66) NPY5RKMT2ANAMPTLMNAGLA
SCHEMBL10114303 0.88 NPY5R (0.57) NPY5RKMT2AFAAHEPHX2ENPP3
SCHEMBL10114402 0.88 NPY5R (0.57) NPY5RKMT2AENPP3ENPP1NAMPT
SCHEMBL10134439 0.88 NPY5R (0.57) NPY5RKMT2AENPP3ENPP1NAMPT
SCHEMBL10113370 0.88 NPY5R (0.72) NPY5RKMT2AEPHX2ENPP3ENPP1

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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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
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 1/4885KMT2A 2912/4885FAAH 974/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 2953/4885FAAH 974/4885

“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.