SCHEMBL10133409

SCHEMBL10133409

C[C@@H]1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
MAPT P10636 1/20 0.40
GSK3B P49841 1/20 0.40
TP53 P04637 1/20 0.37
GAK O14976 1/20 0.37
KMT2A Q03164 1/20 0.36
CCR8 P51685 4/20 0.35
USP30 Q70CQ3 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.34
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL10114332 1.00 NPY5R (0.47) NPY5RMAPTGSK3BTP53GAK
SCHEMBL10133395 0.88 NPY5R (0.46) NPY5RMAPTGSK3BTP53GAK
SCHEMBL13204300 0.88 MAPT (0.40) NPY5RMAPTGSK3BTP53GAK
SCHEMBL10114346 0.88 NPY5R (0.46) NPY5RMAPTGSK3BTP53GAK
SCHEMBL14424254 0.88 NPY5R (0.46) NPY5RMAPTGSK3BTP53GAK
SCHEMBL13204144 0.88 NPY5R (0.46) NPY5RMAPTGSK3BTP53GAK
SCHEMBL10114704 0.88 MAPT (0.40) NPY5RMAPTGSK3BTP53GAK
SCHEMBL10114326 0.86 NPY5R (0.46) NPY5RMAPTGSK3BTP53GAK
SCHEMBL10133481 0.86 NPY5R (0.46) NPY5RMAPTGSK3BTP53GAK
SCHEMBL13204140 0.86 NPY5R (0.46) NPY5RMAPTGSK3BTP53GAK

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 8 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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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

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 NPY5R 1/4885MAPT 3602/4885GSK3B 2267/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MAPT 3367/4885GSK3B 2333/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MAPT 3683/4885GSK3B 2284/4885

“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.