SCHEMBL10114528

SCHEMBL10114528

CS(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.56
ENPP3 O14638 4/20 0.55
ENPP1 P22413 3/20 0.55
ENPP2 Q13822 3/20 0.55
EPHX2 P34913 4/20 0.53
KDM4E B2RXH2 1/20 0.49
NAMPT P43490 1/20 0.49
APOB P04114 4/20 0.48
MTTP P55157 4/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL14424169 1.00 NPY5R (0.56) NPY5RENPP3ENPP1ENPP2EPHX2
SCHEMBL10113370 0.88 NPY5R (0.72) NPY5RENPP3ENPP1ENPP2EPHX2
SCHEMBL13203872 0.88 NPY5R (0.72) NPY5RENPP3ENPP1ENPP2EPHX2
SCHEMBL12882810 0.86 NPY5R (0.53) NPY5RENPP3ENPP1ENPP2EPHX2
SCHEMBL13840459 0.86 NPY5R (0.53) NPY5RENPP3ENPP1ENPP2EPHX2
SCHEMBL10114143 0.86 NPY5R (0.53) NPY5RENPP3ENPP1ENPP2EPHX2
SCHEMBL31396398 0.85 ENPP3 (0.61) ENPP3ENPP1ENPP2EPHX2NAMPT
SCHEMBL3956586 0.85 EPHX2 (0.70) EPHX2
SCHEMBL14424375 0.83 NPY5R (0.58) NPY5RENPP3ENPP1ENPP2EPHX2
SCHEMBL10114879 0.83 NPY5R (0.58) NPY5RENPP3ENPP1ENPP2EPHX2

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 9 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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1/4885ENPP3 3334/4885ENPP1 3255/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885ENPP3 3225/4885ENPP1 3059/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885ENPP3 3416/4885ENPP1 3327/4885

“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.