SCHEMBL90943

SCHEMBL90943

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(-c4ccccc4F)ccc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SCD O00767 2/20 0.35
ALOX5AP P20292 7/20 0.34
FEN1 P39748 7/20 0.34
MAP4K1 Q92918 3/20 0.34
HPGDS O60760 1/20 0.33
NPY5R Q15761 1/20 0.32
FADS1 O60427 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL90922 0.86 ALOX5AP (0.40) ALOX5APFEN1NPY5R
SCHEMBL90920 0.84 NPY5R (0.36) CNR1CNR2NPY5R
SCHEMBL90911 0.84 SMO (0.36) SCDNPY5R
SCHEMBL91024 0.82 GRIA2 (0.41) NPY5R
SCHEMBL2884471 0.82 USP30 (0.35) CNR1CNR2ALOX5APFEN1MAP4K1
SCHEMBL2884473 0.82 USP30 (0.35) CNR1CNR2ALOX5APFEN1MAP4K1
SCHEMBL8594764 0.82 MKNK2 (0.34) NPY5R
SCHEMBL91033 0.81 MKNK1 (0.42) CNR1CNR2ALOX5APFEN1NPY5R
SCHEMBL90852 0.81 BRD4 (0.35) NPY5R
SCHEMBL90853 0.80 NPY5R (0.39) 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 CNR1 41/4885CNR2 47/4885SCD 3403/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CNR1 41/4885CNR2 47/4885SCD 3403/4885

“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.