SCHEMBL2011106

SCHEMBL2011106

CCOC(=O)C1(c2cccnc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.53
OPRD1 P41143 6/20 0.52
OPRK1 P41145 6/20 0.52
SLC22A1 O15245 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
KCNH2 Q12809 1/20 0.52
IDO1 P14902 1/20 0.46
PRCP P42785 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL29430547 0.97 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL25062469 0.97 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL29664779 0.94 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2005769 0.94 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10246623 0.88 OPRM1 (0.71) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL699986 0.87 OPRM1 (0.70) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22629806 0.86 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13658282 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22629811 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22629810 0.83 OPRM1 (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 US disclosed
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 US disclosed
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP disclosed
US-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 US disclosed
EP-1703908-A4 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC (US) 2009-07-08 EP disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-7365075-B2 Aryl sulfonamide compounds and uses related thereto AMGEN INC. (US) 2008-04-29 US disclosed
EP-1703908-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO Amgen Inc. (US) 2006-09-27 EP disclosed
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto AMGEN SF, LLC (US) 2005-12-15 US disclosed
WO-2005063247-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC. (US) 2005-07-14 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 (5 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-20090312372-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 OPRM1 1053/4885OPRD1 147/4885OPRK1 963/4885
US-20080269288-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 OPRM1 1053/4885OPRD1 147/4885OPRK1 963/4885
US-20090306075-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 OPRM1 1053/4885OPRD1 147/4885OPRK1 963/4885
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto SULT2A1, ARSA, SULT1A1 OPRM1 3013/4885OPRD1 2700/4885OPRK1 2599/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A OPRM1 4088/4885OPRD1 4380/4885OPRK1 3889/4885

“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.