SCHEMBL10113693

SCHEMBL10113693

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HTR1A P08908 1/20 0.52
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
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
GLA P06280 1/20 0.47
HDAC3 O15379 1/20 0.47
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL10113695 0.91 MAPT (0.55) KDM4EHTR1AMAPTNPC1RAB9A
SCHEMBL10113690 0.91 GAA (0.59) KDM4EHTR1AMAPTNPC1RAB9A
SCHEMBL10113674 0.90 SMN1; SMN2 (0.59) KDM4EHTR1AMAPTNPC1RAB9A
SCHEMBL10115263 0.89 MAPT (0.54) KDM4EHTR1AMAPTNPC1RAB9A
SCHEMBL10113669 0.89 ALDH1A1 (0.59) KDM4EMAPTMAPK1L3MBTL1SMN1; SMN2
SCHEMBL10115256 0.88 KDM4E (0.50) KDM4EHTR1AMAPTNPC1RAB9A
SCHEMBL10115361 0.88 KDM4E (0.48) KDM4EHTR1AMAPTNPC1RAB9A
SCHEMBL10113712 0.87 SMN1; SMN2 (0.56) KDM4EHTR1AMAPTNPC1RAB9A
SCHEMBL10113696 0.87 KDM4E (0.49) KDM4EHTR1AMAPTNPC1RAB9A
SCHEMBL10113697 0.85 MAPT (0.50) KDM4EHTR1AMAPTNPC1RAB9A

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 12 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-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 1668/4885HTR1A 302/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885HTR1A 300/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885HTR1A 296/4885MAPT 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.