SCHEMBL10113330

SCHEMBL10113330

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)CCC3=NO)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.48
MAPK14 Q16539 7/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
IKBKB O14920 1/20 0.39
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13203859 1.00 NPY5R (0.48) NPY5RMAPK14ALDH1A1MAPTNPC1
SCHEMBL13203799 0.87 MAPK14 (0.53) NPY5RMAPK14ALDH1A1MAPTNPC1
SCHEMBL10133710 0.87 MAPK14 (0.53) NPY5RMAPK14ALDH1A1MAPTNPC1
SCHEMBL10114115 0.86 MAPK14 (0.45) MAPK14ALDH1A1MAPTNPC1RAB9A
SCHEMBL10133337 0.86 NPY5R (0.50) NPY5RMAPK14ALDH1A1MAPTNPC1
SCHEMBL13203865 0.81 NPC1 (0.57) NPY5RALDH1A1MAPTNPC1RAB9A
SCHEMBL10113341 0.81 NPC1 (0.57) NPY5RALDH1A1MAPTNPC1RAB9A
SCHEMBL12882378 0.78 NPY5R (0.48) NPY5RMAPK14ALDH1A1MAPTNPC1
SCHEMBL14424102 0.78 MAPK14 (0.55) NPY5RMAPK14ALDH1A1SMN1; SMN2GAA
SCHEMBL10113215 0.77 ALDH1A1 (0.70) NPY5RMAPK14ALDH1A1MAPTNPC1

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 4 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-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 1/4885MAPK14 1392/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MAPK14 1407/4885ALDH1A1 4517/4885

“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.