SCHEMBL90855

SCHEMBL90855

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(-c4ncco4)ccc3[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
NPY5R Q15761 1/20 0.32
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
CHEK1 O14757 1/20 0.31
ATR Q13535 1/20 0.31
PDCD1 Q15116 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
BRD4 O60885 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL8576066 0.84 IKBKB (0.35) NPY5RIKBKBCHUKCHEK1ATR
SCHEMBL90911 0.83 SMO (0.36) NPY5R
SCHEMBL8594764 0.83 MKNK2 (0.34) NPY5RIKBKBCHUKBRD4
SCHEMBL90993 0.83 CDK9 (0.33) KDM5AKDM5BNPY5RIKBKBCHUK
SCHEMBL8594209 0.81 RAB9A (0.34) NPY5RIKBKBCHUKBRD4
SCHEMBL90852 0.80 BRD4 (0.35) NPY5RIKBKBCHUKBRD4
SCHEMBL90938 0.80 KCNH2 (0.35) NPY5RIKBKBCHUKBRD4
SCHEMBL91024 0.80 GRIA2 (0.41) NPY5R
SCHEMBL90914 0.79 NPY5R (0.34) NPY5RIKBKBCHUKBRD4
SCHEMBL90920 0.79 NPY5R (0.36) NPY5RIKBKBCHUKBRD4

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
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 (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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KDM5A 642/4885KDM5B 677/4885NPY5R 1/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KDM5A 642/4885KDM5B 677/4885NPY5R 1/4885

“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.