SCHEMBL90856

SCHEMBL90856

CC(C)Oc1ccc2[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)cc2n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.32
PI4KA P42356 2/20 0.31
PIK3C2G O75747 1/20 0.31
BRD4 O60885 1/20 0.31
PI4KB Q9UBF8 2/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL90854 0.84 ADORA2A (0.33) NPY5RBRD4USP30
SCHEMBL90971 0.83 HPGDS (0.38) NPY5RBRD4
SCHEMBL90852 0.83 BRD4 (0.35) NPY5RBRD4
SCHEMBL90914 0.82 NPY5R (0.34) NPY5RBRD4
SCHEMBL90920 0.82 NPY5R (0.36) NPY5RBRD4
SCHEMBL90853 0.81 NPY5R (0.39) NPY5RBRD4
SCHEMBL69615 0.79 NPY5R (0.36) NPY5RBRD4
SCHEMBL8594764 0.78 MKNK2 (0.34) NPY5RBRD4
SCHEMBL90966 0.78 NPY5R (0.38) NPY5RBRD4
SCHEMBL90919 0.77 BRD4 (0.34) BRD4

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 1/4885PI4KA 3907/4885PIK3C2G 3781/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885PI4KA 3907/4885PIK3C2G 3781/4885

“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.