SCHEMBL90858

SCHEMBL90858

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(-c4ccc(F)cc4)ncc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
TDO2 P48775 1/20 0.34
MAP2K7 O14733 1/20 0.34
MAP2K4 P45985 1/20 0.34
KIT P10721 3/20 0.33
GRIA2 P42262 2/20 0.33
SGK1 O00141 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
GRIN2B Q13224 1/20 0.32
CNR2 P34972 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
SCHEMBL91002 0.87 GRIA2 (0.48) GRIA2
SCHEMBL2879012 0.82 NPY5R (0.37) NPY5RTDO2MAP2K7MAP2K4KIT
SCHEMBL2879517 0.82 NPY5R (0.37) NPY5RTDO2MAP2K7MAP2K4KIT
SCHEMBL2879013 0.82 NPY5R (0.37) NPY5RTDO2MAP2K7MAP2K4KIT
SCHEMBL2879515 0.81 NPY5R (0.37) NPY5RKITGRIA2SGK1
SCHEMBL2879010 0.81 NPY5R (0.37) NPY5RKITGRIA2SGK1
SCHEMBL91024 0.80 GRIA2 (0.41) NPY5RTDO2MAP2K7MAP2K4GRIA2
SCHEMBL90920 0.80 NPY5R (0.36) NPY5RIKBKBCHUKCNR2
SCHEMBL91021 0.77 GRIA2 (0.40) NPY5RTDO2MAP2K7MAP2K4GRIA2
SCHEMBL90938 0.77 KCNH2 (0.35) NPY5RGRIA2IKBKBCHUK

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 1/4885NR3C1 219/4885NR3C2 81/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885NR3C1 219/4885NR3C2 81/4885

“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.