SCHEMBL70995

SCHEMBL70995

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccccc3)c(C3CC3)[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 12/20 0.43
ADORA1 P30542 4/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
NPY5R Q15761 1/20 0.35
HTR2B P41595 1/20 0.34
PDE2A O00408 1/20 0.34
ADORA2B P29275 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
SCHEMBL90941 0.88 KIT (0.36) KITADORA1ADORA3ADORA2ANPY5R
SCHEMBL71894 0.86 KIT (0.40) KITADORA1ADORA3ADORA2ANPY5R
SCHEMBL70610 0.86 PDE2A (0.36) KITADORA1ADORA3ADORA2ANPY5R
SCHEMBL69646 0.85 KIT (0.35) KITADORA1ADORA3ADORA2ANPY5R
SCHEMBL90950 0.80 DRD2 (0.50) NPY5R
SCHEMBL90979 0.79 USP30 (0.41) NPY5R
SCHEMBL16300074 0.79 DRD2 (0.39) NPY5R
SCHEMBL2884131 0.78 NPY5R (0.49) NPY5RHTR2B
SCHEMBL2884125 0.78 HTR2B (0.47) NPY5RHTR2BPDE2A
SCHEMBL2884128 0.78 HTR2B (0.47) NPY5RHTR2BPDE2A

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 1375/4885ADORA1 1131/4885ADORA3 748/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KIT 1375/4885ADORA1 1131/4885ADORA3 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.