SCHEMBL10115653

SCHEMBL10115653

COc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TRPV1 Q8NER1 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR6 P50406 1/20 0.44
RBP4 P02753 1/20 0.43
EPHX2 P34913 3/20 0.43
UTS2R Q9UKP6 1/20 0.42

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
SCHEMBL10115839 0.90 TRPV1 (0.47) MAPTL3MBTL1TRPV1KMT2AEPHX2
SCHEMBL10115576 0.89 L3MBTL1 (0.61) MAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10116174 0.87 TRPV1 (0.47) MAPTL3MBTL1TRPV1SMN1; SMN2KMT2A
SCHEMBL10115716 0.87 LMNA (0.46) MAPTTRPV1SMN1; SMN2KMT2AEPHX2
SCHEMBL13204648 0.87 EPHX2 (0.56) TRPV1EPHX2
SCHEMBL10115587 0.86 L3MBTL1 (0.49) MAPTL3MBTL1SMN1; SMN2KMT2AHTR1A
SCHEMBL10115836 0.85 EPHX2 (0.47) MAPTTRPV1EPHX2
SCHEMBL10115745 0.85 SLC6A3 (0.47) MAPTKMT2AEPHX2
SCHEMBL10115585 0.84 SMN1; SMN2 (0.53) MAPTL3MBTL1SMN1; SMN2HTR1AHTR1D
SCHEMBL10115650 0.83 POLB (0.57) MAPTL3MBTL1SMN1; SMN2KMT2A

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 MAPT 3602/4885L3MBTL1 3267/4885TRPV1 774/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885L3MBTL1 2541/4885TRPV1 534/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885L3MBTL1 3389/4885TRPV1 795/4885

“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.