SCHEMBL90866

SCHEMBL90866

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.36
SLC6A3 Q01959 3/20 0.34
NPY5R Q15761 1/20 0.33
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
PRKX P51817 1/20 0.33
JAK3 P52333 1/20 0.33
CDK5 Q00535 1/20 0.33
MAP4K2 Q12851 1/20 0.33

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
SCHEMBL91029 0.89 GRIA2 (0.35) NPY5RCDC7DAPK3ROCK2MAP4K4
SCHEMBL90906 0.86 HSD11B1 (0.39) CDC7DAPK3ROCK2MAP4K4PAK4
SCHEMBL90997 0.84 NPY5R (0.35) NPY5RCDC7DAPK3ROCK2MAP4K4
SCHEMBL90974 0.83 BRD4 (0.41) BRD4MEN1KMT2A
SCHEMBL90867 0.83 RIPK2 (0.37) NPY5RGSK3BDYRK1AMEN1NPC1
SCHEMBL90863 0.82 SMN1; SMN2 (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL69642 0.82 NPY5R (0.39) NPY5RGRIA2
SCHEMBL90946 0.81 KMT2A (0.41) ROCK2BRD4MEN1NPC1RAB9A
SCHEMBL71885 0.81 PIK3CD (0.43) NPY5RCDC7DAPK3ROCK2MAP4K4
SCHEMBL91031 0.81 KDM1A (0.49) NPY5RCSNK1A1GRIA2MEN1KMT2A

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 ABL1 619/4885SLC6A3 506/4885NPY5R 1/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ABL1 619/4885SLC6A3 506/4885NPY5R 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.