SCHEMBL10134504

SCHEMBL10134504

Cc1c(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc(N2CC(C)OC(C)C2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.36
HTT P42858 1/20 0.34
OPRM1 P35372 1/20 0.33
NPY5R Q15761 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10116086 1.00 CCR8 (0.36) CCR8HTTOPRM1NPY5RL3MBTL1
SCHEMBL10115747 0.89 CCR8 (0.37) CCR8HTTOPRM1L3MBTL1MEN1
SCHEMBL10133513 0.89 CCR8 (0.37) CCR8HTTOPRM1L3MBTL1MEN1
SCHEMBL10133826 0.87 HTT (0.38) CCR8HTTOPRM1NPY5RL3MBTL1
SCHEMBL10115612 0.87 HTT (0.38) CCR8HTTOPRM1NPY5RL3MBTL1
SCHEMBL10116034 0.87 CCR8 (0.34) CCR8HTTL3MBTL1MEN1GAA
SCHEMBL10133828 0.87 CCR8 (0.34) CCR8HTTL3MBTL1MEN1GAA
SCHEMBL10133442 0.86 LMNA (0.34) CCR8MAPT
SCHEMBL13204394 0.86 LMNA (0.34) CCR8MAPT
SCHEMBL14418512 0.86 LMNA (0.34) CCR8MAPT

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 1904/4885OPRM1 217/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CCR8 484/4885HTT 2095/4885OPRM1 222/4885

“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.