SCHEMBL10115440

SCHEMBL10115440

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.47
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 5/20 0.45
NPY5R Q15761 2/20 0.43
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL10115442 0.88 GRIA1 (0.46) GRIA1ALDH1A1LMNAHDAC6NPY5R
SCHEMBL10115114 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHTTHDAC6GAA
SCHEMBL10115297 0.80 HDAC6 (0.67) ALDH1A1LMNAHDAC6
SCHEMBL10113823 0.79 ALDH1A1 (0.57) ALDH1A1LMNAHTTHDAC6
SCHEMBL13565881 0.79 GRIA1 (0.59) GRIA1ALDH1A1NPY5R
SCHEMBL10113788 0.78 HDAC6 (0.74) ALDH1A1HDAC6
SCHEMBL14705313 0.77 DEGS1 (0.55) ALDH1A1LMNAHTTHDAC6GAA
SCHEMBL10115503 0.76 ALDH1A1 (0.49) GRIA1ALDH1A1LMNAHDAC6
SCHEMBL10113696 0.76 KDM4E (0.49) ALDH1A1HDAC6GAANPSR1TDP1
SCHEMBL10115197 0.76 ALDH1A1 (0.68) GRIA1ALDH1A1LMNAHDAC6

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 GRIA1 278/4885ALDH1A1 4558/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA1 251/4885ALDH1A1 4599/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA1 277/4885ALDH1A1 4517/4885LMNA 1857/4885

“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.