SCHEMBL10116145

SCHEMBL10116145

Cc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c(C)c1OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 7/20 0.41
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10115806 0.87 CCR8 (0.43) CCR8MAPTTHRBGAA
SCHEMBL10116142 0.85 THRB (0.44) CCR8THRBGAA
SCHEMBL10114941 0.85 ACACB (0.36) CCR8THRBMEN1KMT2A
SCHEMBL13204434 0.85 ACACB (0.36) CCR8THRBMEN1KMT2A
SCHEMBL13565307 0.80 PTGER4 (0.35)
SCHEMBL17090190 0.80 PTGER4 (0.35)
SCHEMBL10116112 0.79 GPR119 (0.49) MAPTTHRBGAAMEN1KMT2A
SCHEMBL13222447 0.77 CCR8 (0.42) CCR8MAPTTHRBGAAMEN1
SCHEMBL10116075 0.77 CCR8 (0.44) CCR8MAPTTHRBGAAMEN1
SCHEMBL10116018 0.77 CCR8 (0.42) CCR8MAPTTHRBGAAMEN1

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 CCR8 429/4885MAPT 3602/4885THRB 414/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CCR8 394/4885MAPT 3367/4885THRB 417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CCR8 484/4885MAPT 3683/4885THRB 409/4885

“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.