SCHEMBL10113698

SCHEMBL10113698

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 1/20 0.48
BDKRB1 P46663 3/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 6/20 0.46
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HTR1A P08908 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
SCHEMBL10113703 0.93 KDM4E (0.50) SMN1; SMN2NPC1TP53RAB9ABDKRB1
SCHEMBL10113674 0.90 SMN1; SMN2 (0.59) SMN1; SMN2NPC1TP53RAB9AGAA
SCHEMBL10113690 0.89 GAA (0.59) SMN1; SMN2NPC1TP53RAB9AGAA
SCHEMBL10113712 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1TP53RAB9AGAA
SCHEMBL10113405 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1TP53RAB9ABDKRB1
SCHEMBL13564967 0.85 L3MBTL3 (0.46) NPC1L3MBTL1HTR1A
SCHEMBL10113756 0.83 MCHR1 (0.46) SMN1; SMN2NPC1TP53RAB9AGAA
SCHEMBL10113693 0.83 KDM4E (0.54) SMN1; SMN2NPC1TP53RAB9AGAA
SCHEMBL10113669 0.83 ALDH1A1 (0.59) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL10113695 0.83 MAPT (0.55) SMN1; SMN2NPC1RAB9AGAANPSR1

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 SMN1; SMN2 2213/4885NPC1 1435/4885TP53 4449/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885NPC1 1353/4885TP53 4417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885NPC1 1462/4885TP53 4486/4885

“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.