SCHEMBL10133826

SCHEMBL10133826

Cc1c(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc(N2CC(C)OC(C)C2)c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CCR8 P51685 5/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
USP30 Q70CQ3 1/20 0.35
OPRM1 P35372 1/20 0.35
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPY5R Q15761 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL10115612 1.00 HTT (0.38) HTTCCR8KDM4ELMNAUSP30
SCHEMBL10133591 0.93 USP30 (0.37) HTTCCR8KDM4ELMNAUSP30
SCHEMBL10115968 0.93 USP30 (0.37) HTTCCR8KDM4ELMNAUSP30
SCHEMBL10115894 0.89 USP30 (0.38) HTTCCR8KDM4ELMNAUSP30
SCHEMBL12882361 0.89 CCR8 (0.40) HTTCCR8KDM4ELMNAUSP30
SCHEMBL12882929 0.89 CCR8 (0.40) HTTCCR8KDM4ELMNAUSP30
SCHEMBL10116086 0.87 CCR8 (0.36) HTTCCR8OPRM1THRBMAPT
SCHEMBL10134504 0.87 CCR8 (0.36) HTTCCR8OPRM1THRBMAPT
SCHEMBL10134509 0.86 HTT (0.36) HTTCCR8USP30RAB9ATHRB
SCHEMBL10115956 0.86 HTT (0.36) HTTCCR8USP30RAB9ATHRB

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 HTT 1904/4885CCR8 394/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 2095/4885CCR8 484/4885KDM4E 1653/4885

“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.