SCHEMBL10115883

SCHEMBL10115883

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PAK1 Q13153 1/20 0.51
MAPT P10636 6/20 0.49
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
TAS1R2 Q8TE23 2/20 0.49
KDM4E B2RXH2 1/20 0.49
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.46
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP30 Q70CQ3 1/20 0.44
GOT1 P17174 1/20 0.43
NPC1 O15118 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
SCHEMBL10115909 0.85 MAPT (0.68) MEN1KMT2AMAPTGAA
SCHEMBL10115575 0.84 MEN1 (0.53) MEN1KMT2APAK1MAPTTAS1R3
SCHEMBL10115865 0.84 ALOX5 (0.56) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL10115901 0.82 MEN1 (0.59) MEN1KMT2APAK1MAPTKDM4E
SCHEMBL10113996 0.82 RAB9A (0.56) MEN1KMT2AMAPTKDM4EUBE2M
SCHEMBL13204302 0.82 RAB9A (0.56) MEN1KMT2AMAPTKDM4EUBE2M
SCHEMBL10115880 0.81 TAS1R3 (0.48) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL10115891 0.81 CYP3A4 (0.57) MEN1KMT2APAK1MAPTNPSR1
SCHEMBL10116047 0.80 OPRM1 (0.57) MEN1KMT2APAK1MAPTTAS1R3
SCHEMBL12882838 0.78 TSHR (0.48) MEN1KMT2AKDM4ENPSR1EPHX2

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 MEN1 2876/4885KMT2A 2912/4885PAK1 4791/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885PAK1 4692/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885PAK1 4789/4885

“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.