SCHEMBL10134503

SCHEMBL10134503

Cc1cc(N2CC(C)OC(C)C2C)c(C)cc1NC(=O)N1CCC(NS(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 7/20 0.34
HTT P42858 1/20 0.33
THRB P10828 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
ABCC1 P33527 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL10115688 1.00 CCR8 (0.34) CCR8HTTTHRBMAPK1MEN1
SCHEMBL12882024 0.89 CCR8 (0.36) CCR8HTTTHRBMAPK1MEN1
SCHEMBL13204627 0.89 CCR8 (0.36) CCR8HTTTHRBMAPK1MEN1
SCHEMBL10133828 0.88 CCR8 (0.34) CCR8HTTTHRBMAPK1MEN1
SCHEMBL10116034 0.88 CCR8 (0.34) CCR8HTTTHRBMAPK1MEN1
SCHEMBL10133583 0.87 HRH3 (0.41) CCR8HTTTHRBMAPK1LMNA
SCHEMBL10115684 0.87 HRH3 (0.41) CCR8HTTTHRBMAPK1LMNA
SCHEMBL10133513 0.86 CCR8 (0.37) CCR8HTTMEN1KMT2ALMNA
SCHEMBL10115747 0.86 CCR8 (0.37) CCR8HTTMEN1KMT2ALMNA
SCHEMBL10115668 0.80 LMNA (0.42) CCR8KMT2ALMNANPSR1L3MBTL1

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 4 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-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

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

For each of this compound's patents that has machine-readable text (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CCR8 394/4885HTT 1904/4885THRB 417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CCR8 484/4885HTT 2095/4885THRB 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.