SCHEMBL10116112

SCHEMBL10116112

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OCC3CC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.49
MAPT P10636 6/20 0.48
THRB P10828 2/20 0.48
EPHX2 P34913 4/20 0.46
ALOX5 P09917 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10116122 0.88 HTT (0.46) GPR119
SCHEMBL10115871 0.86 MAPT (0.61) MAPTEPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL10115758 0.85 MAPT (0.48) GPR119MAPTTHRBEPHX2ALOX5
SCHEMBL10116142 0.85 THRB (0.44) GPR119THRBGAA
SCHEMBL10116154 0.85 SMN1; SMN2 (0.52) MAPTEPHX2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14424352 0.83 KMT2A (0.50) MAPTKMT2AALDH1A1
SCHEMBL10114616 0.83 KMT2A (0.50) MAPTKMT2AALDH1A1
SCHEMBL10115854 0.83 PANK3 (0.54) MAPTSMN1; SMN2
SCHEMBL13222448 0.82 GAA (0.50) EPHX2KMT2AMEN1GAAALDH1A1
SCHEMBL12882838 0.82 TSHR (0.48) EPHX2ALOX5KMT2AMEN1ALDH1A1

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 GPR119 44/4885MAPT 3602/4885THRB 414/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GPR119 52/4885MAPT 3367/4885THRB 417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GPR119 45/4885MAPT 3683/4885THRB 409/4885

“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.