SCHEMBL10113307

SCHEMBL10113307

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCc2nccc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
MAPK1 P28482 2/20 0.41
SSTR1 P30872 2/20 0.41
SSTR4 P31391 2/20 0.41
ALDH1A1 P00352 3/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.39
NQO2 P16083 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 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
SCHEMBL13203843 1.00 NPY5R (0.47) NPY5RMAPK1SSTR1SSTR4ALDH1A1
SCHEMBL10114096 0.87 EPHX2 (0.39) MAPK1ALDH1A1ADORA2AADORA1EPHX2
SCHEMBL17090336 0.84 NPY5R (0.41) NPY5RSSTR1SSTR4ALDH1A1ADORA2A
SCHEMBL13564876 0.84 NPY5R (0.41) NPY5RSSTR1SSTR4ALDH1A1ADORA2A
SCHEMBL10133715 0.83 EPHX2 (0.55) NPY5RSSTR4ALDH1A1EPHX2TSHR
SCHEMBL13203797 0.83 EPHX2 (0.55) NPY5RSSTR4ALDH1A1EPHX2TSHR
SCHEMBL10113308 0.82 NPY5R (0.48) NPY5RSSTR4ALDH1A1EPHX2NQO2
SCHEMBL13203842 0.82 NPY5R (0.48) NPY5RSSTR4ALDH1A1EPHX2NQO2
SCHEMBL18607397 0.80 HPGD (0.52) ALDH1A1ADORA2AADORA1EPHX2TSHR
SCHEMBL13203840 0.79 ALDH1A1 (0.47) NPY5RALDH1A1MEN1KMT2AKDM4E

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 1/4885MAPK1 1345/4885SSTR1 21/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MAPK1 1323/4885SSTR1 16/4885

“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.