SCHEMBL10113407

SCHEMBL10113407

CN1CCN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MAPT P10636 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 3/20 0.50
CACNA1G O43497 2/20 0.50
MDH1 P40925 1/20 0.49
MDH2 P40926 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC1 Q13547 3/20 0.48
JAK2 O60674 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL10113410 0.91 MAPT (0.55) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL10113400 0.91 GAA (0.59) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL10113386 0.90 SMN1; SMN2 (0.59) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL10115024 0.89 MAPT (0.54) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL10113387 0.89 CNR1 (0.58) KDM4EMAPTMAPK1L3MBTL1SMN1; SMN2
SCHEMBL10115101 0.88 KDM4E (0.50) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL10113392 0.88 KDM4E (0.50) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL12882430 0.88 KDM4E (0.48) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL14418521 0.87 KDM4E (0.49) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL10113439 0.87 SMN1; SMN2 (0.56) KDM4EMAPTNPC1RAB9AGAA

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
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-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 KDM4E 1668/4885MAPT 3602/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885MAPT 3367/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885MAPT 3683/4885NPC1 1462/4885

“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.