SCHEMBL1031264

SCHEMBL1031264

CC(C)(C)OC(=O)N1CCC(Oc2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.52
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
GPR119 Q8TDV5 4/20 0.47
PIK3CD O00329 4/20 0.44
KDM1A O60341 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
GHSR Q92847 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL28059322 1.00 USP30 (0.52) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8247003 1.00 USP30 (0.52) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2481879 0.94 GPR119 (0.53) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL29796085 0.94 GPR119 (0.53) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL28059263 0.91 SLC6A2 (0.49) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL596200 0.87 ALDH1A1 (0.57) USP30ALDH1A1MAPTLMNAGPR119
SCHEMBL596199 0.87 ALDH1A1 (0.57) USP30ALDH1A1MAPTLMNAGPR119
SCHEMBL15377781 0.87 ALDH1A1 (0.57) USP30ALDH1A1MAPTLMNAGPR119
SCHEMBL4707629 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL22735334 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
EP-1945216-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2008-07-23 EP disclosed
EP-1945643-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
EP-1945644-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 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 (4 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-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 USP30 1206/4885SLC6A2 4838/4885SLC6A4 4832/4885
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 USP30 1179/4885SLC6A2 3356/4885SLC6A4 3624/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A USP30 1066/4885SLC6A2 4818/4885SLC6A4 4844/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 USP30 2267/4885SLC6A2 4622/4885SLC6A4 4752/4885

“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.