SCHEMBL556232

SCHEMBL556232

CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(O)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.53
GPR119 Q8TDV5 3/20 0.53
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
LMNA P02545 1/20 0.49
TACR1 P25103 1/20 0.48
USP30 Q70CQ3 4/20 0.47
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2252656 1.00 STS (0.53) STSGPR119JAK2JAK1KDM4E
SCHEMBL2253056 1.00 STS (0.53) STSGPR119JAK2JAK1KDM4E
SCHEMBL5477496 0.92 GPR119 (0.52) STSGPR119JAK2JAK1KDM4E
SCHEMBL556613 0.92 GPR119 (0.52) STSGPR119JAK2JAK1KDM4E
SCHEMBL5477485 0.92 GPR119 (0.52) STSGPR119JAK2JAK1KDM4E
SCHEMBL12281464 0.91 STS (0.53) STSGPR119JAK2JAK1KDM4E
SCHEMBL12131760 0.91 STS (0.53) STSGPR119JAK2JAK1KDM4E
SCHEMBL29643908 0.91 STS (0.53) STSGPR119JAK2JAK1KDM4E
SCHEMBL707351 0.91 USP30 (0.51) STSGPR119JAK2JAK1KDM4E
SCHEMBL707352 0.91 USP30 (0.51) STSGPR119JAK2JAK1KDM4E

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935263-B1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-12-05 EP disclosed
EP-2935263-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
US-8962611-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US disclosed
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME LLC 2014-12-04 US disclosed
US-8846657-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US disclosed
WO-2014100065-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-20140179680-A1 Substituted Imidazopyridines as HDM2 Inhibitors MERCK SHARP & DOHME LLC 2014-06-26 US disclosed
EP-2537845-B1 6H-DIBENZO[B,E]OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-19 EP disclosed
EP-2537845-B1 6H-DIBENZO[B,E]OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-19 EP disclosed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP disclosed
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE ELI LILLY AND COMPANY 2009-06-25 US disclosed
EP-1757606-B1 Xanthinderivatives for use as medical agents and the preparation thereof BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
EP-1953162-A1 Xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1757606-A1 Xanthinderivatives, preparation thereof and their use as medical agents Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-02-28 EP disclosed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO 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 (6 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-20140179680-A1 Substituted Imidazopyridines as HDM2 Inhibitors DDX21, ING2, MDM2 STS 2898/4885GPR119 4505/4885JAK2 2579/4885
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE NR3C2, MC2R, REN STS 569/4885GPR119 33/4885JAK2 1625/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 STS 1067/4885GPR119 159/4885JAK2 2142/4885
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 STS 1113/4885GPR119 1153/4885JAK2 179/4885
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS DDX21, ING2, MDM2 STS 2898/4885GPR119 4505/4885JAK2 2579/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 STS 867/4885GPR119 60/4885JAK2 1545/4885

“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.