SCHEMBL90861

SCHEMBL90861

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cc(C(F)(F)F)cnc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
ULK1 O75385 2/20 0.37
SMO Q99835 1/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.34
PDE2A O00408 1/20 0.32
CXCR3 P49682 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
CRHR1 P34998 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16300948 0.84 NPY5R (0.37) NPY5RULK1IKBKBCHUK
SCHEMBL8528320 0.81 NPY5R (0.45) NPY5REPHX2PDE2A
SCHEMBL91022 0.78 SMO (0.37) NPY5RULK1SMOIKBKBCHUK
SCHEMBL8553431 0.77 ABL1 (0.37) NPY5RIKBKBCHUK
SCHEMBL90918 0.75 NPY5R (0.36) NPY5RSMOIKBKBCHUK
SCHEMBL90853 0.73 NPY5R (0.39) NPY5RIKBKBCHUK
SCHEMBL90922 0.72 ALOX5AP (0.40) NPY5R
SCHEMBL90921 0.72 SMO (0.37) NPY5RSMOIKBKBCHUKLMNA
SCHEMBL2884299 0.71 NPY5R (0.48) NPY5RPDE2ALMNAHTT
SCHEMBL2884297 0.71 NPY5R (0.46) NPY5RPDE2ALMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (1 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-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885ULK1 4354/4885SMO 1772/4885

“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.