SCHEMBL10133451

SCHEMBL10133451

Cc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.57
ALDH1A1 P00352 5/20 0.55
CYP2C19 P33261 1/20 0.55
FAAH O00519 1/20 0.51
ENPP3 O14638 2/20 0.50
ENPP1 P22413 2/20 0.50
ENPP2 Q13822 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
EPHX2 P34913 2/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL10114303 1.00 NPY5R (0.57) NPY5RALDH1A1CYP2C19FAAHENPP3
SCHEMBL10114402 0.90 NPY5R (0.57) NPY5RALDH1A1CYP2C19ENPP3ENPP1
SCHEMBL13203719 0.90 NAMPT (0.66) NPY5RALDH1A1MEN1KMT2ANAMPT
SCHEMBL14424621 0.90 LMNA (0.60) NPY5RENPP3ENPP1ENPP2MEN1
SCHEMBL10114575 0.90 LMNA (0.60) NPY5RENPP3ENPP1ENPP2MEN1
SCHEMBL10134439 0.90 NPY5R (0.57) NPY5RALDH1A1CYP2C19ENPP3ENPP1
SCHEMBL10113101 0.90 NAMPT (0.66) NPY5RALDH1A1MEN1KMT2ANAMPT
SCHEMBL10113060 0.88 NPY5R (0.56) NPY5RALDH1A1CYP2C19ENPP3ENPP1
SCHEMBL12864671 0.88 NPY5R (0.56) NPY5RALDH1A1CYP2C19ENPP3ENPP1
SCHEMBL10133217 0.88 NPY5R (0.61) NPY5RENPP3ENPP1ENPP2MEN1

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 7 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-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-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 1/4885ALDH1A1 4558/4885CYP2C19 1251/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885ALDH1A1 4599/4885CYP2C19 1491/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885ALDH1A1 4517/4885CYP2C19 1159/4885

“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.