SCHEMBL10115575

SCHEMBL10115575

CC(C)(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
MAPT P10636 6/20 0.52
KDM4E B2RXH2 1/20 0.52
PAK1 Q13153 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
TAS1R2 Q8TE23 2/20 0.49
EPHX2 P34913 2/20 0.48
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
GOT1 P17174 1/20 0.45
PDGFRB P09619 1/20 0.45
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL10115580 0.85 MAPT (0.68) MEN1KMT2AMAPTGAA
SCHEMBL10115883 0.84 MEN1 (0.53) MEN1KMT2AMAPTKDM4EPAK1
SCHEMBL10115550 0.84 ALOX5 (0.56) KMT2AMAPTKDM4EEPHX2NPSR1
SCHEMBL10115594 0.82 MEN1 (0.59) MEN1KMT2AMAPTKDM4EPAK1
SCHEMBL10114358 0.82 RAB9A (0.53) KMT2AKDM4EEPHX2UBE2MDCUN1D1
SCHEMBL10133757 0.82 RAB9A (0.53) KMT2AKDM4EEPHX2UBE2MDCUN1D1
SCHEMBL10115573 0.81 CYP3A4 (0.57) MEN1KMT2AMAPTPAK1EPHX2
SCHEMBL10115559 0.81 TAS1R3 (0.48) KMT2ATAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL10115708 0.80 OPRM1 (0.57) MEN1KMT2AMAPTKDM4EPAK1
SCHEMBL4103799 0.79 MEN1 (0.55) MEN1KMT2AMAPTKDM4EPAK1

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 2912/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885MAPT 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.