SCHEMBL10113669

SCHEMBL10113669

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CNR1 P21554 2/20 0.58
MAPT P10636 12/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
CNR2 P34972 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 3/20 0.52
TSHR P16473 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL10113690 0.91 GAA (0.59) ALDH1A1MAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10113674 0.90 SMN1; SMN2 (0.59) ALDH1A1MAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10113695 0.89 MAPT (0.55) ALDH1A1MAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10113693 0.89 KDM4E (0.54) ALDH1A1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL10113888 0.89 HTR1A (0.63) ALDH1A1CNR1MAPTL3MBTL1SMN1; SMN2
SCHEMBL10115256 0.88 KDM4E (0.50) ALDH1A1CNR1MAPTL3MBTL1SMN1; SMN2
SCHEMBL10115361 0.88 KDM4E (0.48) ALDH1A1CNR1MAPTL3MBTL1SMN1; SMN2
SCHEMBL10115263 0.87 MAPT (0.54) ALDH1A1MAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10113712 0.87 SMN1; SMN2 (0.56) ALDH1A1MAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10133261 0.87 CNR1 (0.45) ALDH1A1CNR1MAPTL3MBTL1SMN1; SMN2

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 13 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
EP-2014285-B1 NPYY5 antagonists SHIONOGI & CO (JP) 2010-05-05 EP disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 ALDH1A1 4558/4885CNR1 13/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885CNR1 15/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885CNR1 13/4885MAPT 3683/4885

“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.