SCHEMBL8577264

SCHEMBL8577264

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3c(Cl)cncc3[nH]2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
CHUK O15111 3/20 0.32
IKBKB O14920 2/20 0.32
BRD4 O60885 3/20 0.32
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PGR P06401 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
SMO Q99835 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
SCHEMBL8554397 0.83 DAO (0.36) NPY5RCHUKIKBKBPTGDRPTGDR2
SCHEMBL91025 0.79 IKBKB (0.39) NPY5RCHUKIKBKBBRD4PTGDR
SCHEMBL90942 0.79 PDK2 (0.38) NPY5RCHUKIKBKBBRD4SMO
SCHEMBL90918 0.78 NPY5R (0.36) NPY5RCHUKIKBKBBRD4SMO
SCHEMBL90914 0.76 NPY5R (0.34) NPY5RCHUKIKBKBBRD4PGR
SCHEMBL90852 0.72 BRD4 (0.35) NPY5RCHUKIKBKBBRD4
SCHEMBL90920 0.71 NPY5R (0.36) NPY5RCHUKIKBKBBRD4
SCHEMBL90938 0.71 KCNH2 (0.35) NPY5RCHUKIKBKBBRD4
SCHEMBL8545306 0.71 ESR1 (0.36) BRD4
SCHEMBL8526567 0.70 PDK2 (0.41) NPY5RCHUKIKBKBBRD4SMO

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 NPY5R 1/4885CHUK 754/4885IKBKB 2117/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885CHUK 754/4885IKBKB 2117/4885

“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.