SCHEMBL10113696

SCHEMBL10113696

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HTR1A P08908 1/20 0.48
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CACNA1G O43497 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43

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 0.89 MAPT (0.55) KDM4EHTR1AMAPTSMN1; SMN2GAA
SCHEMBL10113693 0.87 KDM4E (0.54) KDM4EHTR1AMAPTSMN1; SMN2GAA
SCHEMBL10113690 0.87 GAA (0.59) KDM4EHTR1AMAPTSMN1; SMN2GAA
SCHEMBL10113417 0.86 KDM4E (0.49) KDM4EMAPTSMN1; SMN2GAAGLA
SCHEMBL10113674 0.86 SMN1; SMN2 (0.59) KDM4EHTR1AMAPTSMN1; SMN2GAA
SCHEMBL10115361 0.85 KDM4E (0.48) KDM4EHTR1AMAPTSMN1; SMN2GAA
SCHEMBL10115263 0.85 MAPT (0.54) KDM4EHTR1AMAPTSMN1; SMN2GAA
SCHEMBL13564794 0.85 NPY5R (0.46) HTR1AMAPTNPC1RAB9AKMT2A
SCHEMBL10113669 0.85 ALDH1A1 (0.59) KDM4EMAPTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL10115256 0.84 KDM4E (0.50) KDM4EHTR1AMAPTSMN1; SMN2GAA

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.