SCHEMBL10133713

SCHEMBL10133713

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCSc2cc(C(F)(F)F)nc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
NPY5R Q15761 1/20 0.44
GFER P55789 1/20 0.43
DRD2 P14416 6/20 0.40
DRD3 P35462 5/20 0.40
RXFP1 Q9HBX9 7/20 0.39
TP53 P04637 2/20 0.39
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL13203787 1.00 MAPT (0.57) MAPTNPY5RGFERDRD2DRD3
SCHEMBL10114047 0.91 MAPT (0.56) MAPTGFERDRD2DRD3RXFP1
SCHEMBL13052693 0.88 MAPT (0.54) MAPTGFERDRD2DRD3RXFP1
SCHEMBL17090301 0.87 MAPT (0.58) MAPTNPY5RDRD2DRD3MAPK1
SCHEMBL13564759 0.87 MAPT (0.58) MAPTNPY5RDRD2DRD3MAPK1
SCHEMBL10113543 0.78 MAPT (0.61) MAPTDRD2DRD3
SCHEMBL13565000 0.77 MAPT (0.58) MAPTNPY5R
SCHEMBL10114182 0.75 NPY5R (0.43) MAPTNPY5RGFER
SCHEMBL10114197 0.74 GFER (0.43) MAPTNPY5RGFERTP53
SCHEMBL13565631 0.74 MAPT (0.67) MAPTNPY5RDRD2DRD3

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 5 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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885NPY5R 1/4885GFER 1466/4885

“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.