SCHEMBL90854

SCHEMBL90854

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(Oc4ccccc4)ccc3[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
EGLN1 Q9GZT9 2/20 0.31
NPY5R Q15761 1/20 0.31
BRD4 O60885 2/20 0.31
PARG Q86W56 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL90856 0.84 NPY5R (0.32) USP30NPY5RBRD4
SCHEMBL90971 0.82 HPGDS (0.38) NPY5RBRD4
SCHEMBL90852 0.81 BRD4 (0.35) NPY5RBRD4
SCHEMBL90853 0.81 NPY5R (0.39) NPY5RBRD4PARG
SCHEMBL90914 0.81 NPY5R (0.34) NPY5RBRD4GRIN2B
SCHEMBL90920 0.81 NPY5R (0.36) NPY5RBRD4
SCHEMBL90911 0.79 SMO (0.36) NPY5R
SCHEMBL90943 0.78 CNR1 (0.36) ADORA2AADORA1NPY5R
SCHEMBL69615 0.77 NPY5R (0.36) NPY5RBRD4
SCHEMBL90966 0.77 NPY5R (0.38) ADORA1NPY5RBRD4

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 ADORA2A 1620/4885ADORA1 1131/4885UCHL1 4197/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ADORA2A 1620/4885ADORA1 1131/4885UCHL1 4197/4885

“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.