SCHEMBL69646

SCHEMBL69646

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.35
NPY5R Q15761 1/20 0.35
CKS1B P61024 4/20 0.34
SKP1 P63208 4/20 0.34
SKP2 Q13309 4/20 0.34
GID4 Q8IVV7 1/20 0.34
PDE2A O00408 1/20 0.34
FASN P49327 1/20 0.34
ADORA3 P0DMS8 4/20 0.33
ADORA1 P30542 4/20 0.33
ADORA2A P29274 3/20 0.33
ADORA2B P29275 2/20 0.33
BRAF P15056 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
SCHEMBL70995 0.85 KIT (0.43) KITNPY5RPDE2AADORA3ADORA1
SCHEMBL90941 0.84 KIT (0.36) KITNPY5RPDE2AADORA3ADORA1
SCHEMBL70610 0.82 PDE2A (0.36) KITNPY5RCKS1BSKP1SKP2
SCHEMBL71894 0.82 KIT (0.40) KITNPY5RADORA3ADORA1ADORA2A
SCHEMBL2884131 0.75 NPY5R (0.49) NPY5R
SCHEMBL2884128 0.75 HTR2B (0.47) NPY5RGID4PDE2A
SCHEMBL2884125 0.75 HTR2B (0.47) NPY5RGID4PDE2A
SCHEMBL90944 0.75 USP30 (0.44) NPY5R
SCHEMBL90997 0.75 NPY5R (0.35) NPY5RADORA3ADORA1ADORA2AADORA2B
SCHEMBL2884475 0.74 HTR2B (0.40) NPY5RGID4ADORA1ADORA2A

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 6 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-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
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 KIT 1375/4885NPY5R 1/4885CKS1B 1802/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KIT 1375/4885NPY5R 1/4885CKS1B 1802/4885

“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.