SCHEMBL90852

SCHEMBL90852

Cc1ccc2[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.35
NPY5R Q15761 1/20 0.35
BRD2 P25440 5/20 0.34
BRD3 Q15059 5/20 0.34
GRIA2 P42262 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
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
SCHEMBL90920 0.88 NPY5R (0.36) BRD4NPY5RBRD2BRD3TDP1
SCHEMBL90914 0.88 NPY5R (0.34) BRD4NPY5RBRD2BRD3JAK3
SCHEMBL90853 0.86 NPY5R (0.39) BRD4NPY5RTDP1IKBKBCHUK
SCHEMBL69615 0.84 NPY5R (0.36) BRD4NPY5R
SCHEMBL8594764 0.83 MKNK2 (0.34) BRD4NPY5RBRD2BRD3IKBKB
SCHEMBL90856 0.83 NPY5R (0.32) BRD4NPY5R
SCHEMBL90966 0.83 NPY5R (0.38) BRD4NPY5R
SCHEMBL90919 0.81 BRD4 (0.34) BRD4
SCHEMBL90854 0.81 ADORA2A (0.33) BRD4NPY5R
SCHEMBL90911 0.81 SMO (0.36) NPY5R

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 BRD4 482/4885NPY5R 1/4885BRD2 832/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R BRD4 482/4885NPY5R 1/4885BRD2 832/4885

“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.