SCHEMBL10115666

SCHEMBL10115666

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc3c2Cc2ccccc2-3)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CCR8 P51685 8/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
RBP4 P02753 1/20 0.36

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
SCHEMBL10116012 0.86 RAB9A (0.50) NPC1RAB9ACCR8MAPK1GAA
SCHEMBL10114467 0.84 NPC1 (0.52) NPC1RAB9ACCR8KDM4EALDH1A1
SCHEMBL14424739 0.84 NPC1 (0.52) NPC1RAB9ACCR8KDM4EALDH1A1
SCHEMBL10115665 0.84 ALDH1A1 (0.45) CCR8MAPK1GAAMEN1KMT2A
SCHEMBL10115548 0.80 KMT2A (0.54) NPC1RAB9ACCR8GAAMEN1
SCHEMBL10115556 0.79 MEN1 (0.60) MAPK1GAAMEN1KMT2AKDM4E
SCHEMBL10115579 0.77 ALDH1A1 (0.55) NPC1RAB9ACCR8GAAKDM4E
SCHEMBL13565177 0.76 NPC1 (0.42) NPC1RAB9AKDM4E
SCHEMBL17090007 0.76 NPC1 (0.42) NPC1RAB9AKDM4E
SCHEMBL10115661 0.76 FAAH (0.51) NPC1RAB9AMAPK1GAAMEN1

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 NPC1 1435/4885RAB9A 3699/4885CCR8 429/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885CCR8 394/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885CCR8 484/4885

“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.