SCHEMBL10113801

SCHEMBL10113801

CCN(CCNC(=O)CCCCNS(=O)(=O)C(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL13203896 0.84 GFER (0.46) GFERMAPTKMT2AGAAMEN1
SCHEMBL13565648 0.82 GRIA1 (0.47) GFERMAPTKMT2AGAAMEN1
SCHEMBL10113666 0.79 HDAC6 (0.61) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL10113860 0.78 LMNA (0.61) KMT2AMEN1TSHRALDH1A1RAB9A
SCHEMBL8978487 0.78 MEN1 (0.60) GFERMAPTKMT2AGAAMEN1
SCHEMBL10115297 0.77 HDAC6 (0.67) ALDH1A1LMNAHDAC6
SCHEMBL10113691 0.76 ALDH1A1 (0.62) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL10113552 0.76 MAPT (0.46) GFERMAPTKMT2AGAAMEN1
SCHEMBL8394269 0.76 GAA (0.53) GFERMAPTKMT2AGAAMEN1
SCHEMBL10113859 0.74 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2HTTTSHR

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 GFER 1450/4885MAPT 3602/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GFER 1505/4885MAPT 3367/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GFER 1466/4885MAPT 3683/4885KMT2A 2953/4885

“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.