SCHEMBL10113064

SCHEMBL10113064

Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.44
GRM4 Q14833 6/20 0.44
EPHX2 P34913 5/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPY5R Q15761 1/20 0.42
MAPT P10636 2/20 0.40
FAAH O00519 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10113918 0.88 GRM1 (0.44) GRM1GRM4EPHX2ALDH1A1KDM4E
SCHEMBL13972890 0.83 GRM1 (0.49) GRM1GRM4EPHX2ALDH1A1KDM4E
SCHEMBL11934724 0.83 ERBB2 (0.39) GRM1GRM4NPY5R
SCHEMBL10114413 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10NPY5R
SCHEMBL10134431 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10NPY5R
SCHEMBL10114434 0.81 ALDH1A1 (0.54) EPHX2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12882604 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10NPY5R
SCHEMBL10133208 0.79 L3MBTL1 (0.56) EPHX2NPY5RMAPTFAAHNPC1
SCHEMBL10114307 0.79 L3MBTL1 (0.56) EPHX2NPY5RMAPTFAAHNPC1
SCHEMBL10114698 0.78 ALDH1A1 (0.48) EPHX2ALDH1A1KDM4EHPGDHSD17B10

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 11 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-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 (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 GRM1 556/4885GRM4 716/4885EPHX2 2158/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRM1 553/4885GRM4 683/4885EPHX2 2527/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRM1 562/4885GRM4 704/4885EPHX2 2306/4885

“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.