SCHEMBL10113308

SCHEMBL10113308

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCc2ccnc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.48
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
NPY1R P25929 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
SSTR4 P31391 2/20 0.40
EPHX2 P34913 2/20 0.39
NQO2 P16083 1/20 0.39
TACR1 P25103 2/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL13203842 1.00 NPY5R (0.48) NPY5RDRD2DRD3NPY1RALDH1A1
SCHEMBL10114092 0.87 TACR1 (0.40) NPY5RDRD2DRD3NPY1RALDH1A1
SCHEMBL17090333 0.84 NPY5R (0.57) NPY5RDRD2DRD3NPY1RSSTR4
SCHEMBL13564872 0.84 NPY5R (0.57) NPY5RDRD2DRD3NPY1RSSTR4
SCHEMBL13203797 0.84 EPHX2 (0.55) NPY5RALDH1A1SSTR4EPHX2NQO2
SCHEMBL10133715 0.84 EPHX2 (0.55) NPY5RALDH1A1SSTR4EPHX2NQO2
SCHEMBL10113307 0.82 NPY5R (0.47) NPY5RALDH1A1SSTR4EPHX2NQO2
SCHEMBL13203843 0.82 NPY5R (0.47) NPY5RALDH1A1SSTR4EPHX2NQO2
SCHEMBL10114144 0.80 CA12 (0.52) NPY5RALDH1A1RXFP1EPHX2POLB
SCHEMBL13203793 0.79 NPY5R (0.53) NPY5RALDH1A1MEN1KMT2ALMNA

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 8 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885DRD2 560/4885DRD3 517/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885DRD2 643/4885DRD3 618/4885

“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.