SCHEMBL90997

SCHEMBL90997

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccccc3)c[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
MAPK8 P45983 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2A P29274 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HSD11B1 P28845 4/20 0.33
JAK2 O60674 2/20 0.33
BRD4 O60885 2/20 0.33
CDC7 O00311 2/20 0.32
DAPK3 O43293 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL71885 0.89 PIK3CD (0.43) NPY5RKDM1AMAOAMAOBCDC7
SCHEMBL91029 0.89 GRIA2 (0.35) NPY5RKDM1AHSD11B1CDC7DAPK3
SCHEMBL90906 0.88 HSD11B1 (0.39) HSD11B1CDC7DAPK3ROCK2MAP4K4
SCHEMBL90867 0.87 RIPK2 (0.37) NPY5RGSK3BDYRK1ALMNA
SCHEMBL90975 0.86 PLK1 (0.40) KDM1AGSK3BCDK9CLK4HPGDS
SCHEMBL91031 0.86 KDM1A (0.49) NPY5RADORA1KDM1AMAOAMAOB
SCHEMBL90986 0.85 LRRK2 (0.38) KDM1A
SCHEMBL90866 0.84 ABL1 (0.36) NPY5RJAK2BRD4CDC7DAPK3
SCHEMBL8527347 0.84 WDR5 (0.37) ROCK2MAP4K4GSK3BLMNAGAA
SCHEMBL90992 0.84 TYRO3 (0.40) ROCK2FLT3

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 1/4885MAPK8 1768/4885ADORA3 748/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885MAPK8 1768/4885ADORA3 748/4885

“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.