SCHEMBL10133381

SCHEMBL10133381

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 1/20 0.47
NPY5R Q15761 1/20 0.46
ALDH1A1 P00352 1/20 0.41
GAK O14976 1/20 0.39
MAPT P10636 4/20 0.39
GSK3B P49841 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX2 P34913 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 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
SCHEMBL10114336 1.00 HRH3 (0.47) HRH3KCNH2NPY5RALDH1A1GAK
SCHEMBL10133481 0.90 NPY5R (0.46) HRH3KCNH2NPY5RGAKMAPT
SCHEMBL14424253 0.90 NPY5R (0.46) HRH3KCNH2NPY5RGAKMAPT
SCHEMBL10114326 0.90 NPY5R (0.46) HRH3KCNH2NPY5RGAKMAPT
SCHEMBL13204140 0.90 NPY5R (0.46) HRH3KCNH2NPY5RGAKMAPT
SCHEMBL10114745 0.87 HRH3 (0.46) HRH3KCNH2ALDH1A1GAKMAPT
SCHEMBL10114405 0.87 HRH3 (0.46) HRH3KCNH2ALDH1A1GAKMAPT
SCHEMBL10133980 0.86 MAPT (0.50) NPY5RALDH1A1MAPTEPHX2
SCHEMBL278192 0.86 MAPT (0.50) NPY5RALDH1A1MAPTEPHX2
SCHEMBL10114327 0.86 MAPT (0.50) NPY5RALDH1A1MAPTEPHX2

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 8 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-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-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

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 HRH3 417/4885KCNH2 861/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 458/4885KCNH2 857/4885NPY5R 1/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 421/4885KCNH2 836/4885NPY5R 1/4885

“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.