SCHEMBL2992832

SCHEMBL2992832

CC1(C)CC(CO)C(C)(C)N1[O]

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6558986 0.83 ADORA3 (0.32) ADORA3ADORA1
SCHEMBL50368 0.78
SCHEMBL9344255 0.78
SCHEMBL4853121 0.76 GAA (0.52) GAAL3MBTL1
SCHEMBL7941187 0.75
Hydrochloric Acid SCHEMBL4960439 0.74 GAA (0.50) GAAL3MBTL1
Hydrochloric Acid SCHEMBL4436968 0.72 GAA (0.48) GAAL3MBTL1
SCHEMBL9345395 0.71 ADORA3 (0.34) ADORA3ADORA1
SCHEMBL632418 0.71
SCHEMBL14067378 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000455-B2 Method for treating diseases associated with oxidative stress or endothelial dysfunction using substituted 1-pyrrolidinyloxy, 1-piperidinyloxy and 1-azepanyloxy compounds Salzman Group, Inc. (US) 2018-06-19 US disclosed
CN-105283181-B Prodrug of Multifunctional nitroxide derivative and application thereof 萨尔兹曼集团有限公司 2018-04-06 CN disclosed
EP-2964218-B1 PRODRUGS OF MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC (US) 2017-12-20 EP disclosed
US-20170327466-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH OXIDATIVE STRESS OR ENDOTHELIAL DYSFUNCTION Salzman Group, Inc. 2017-11-16 US disclosed
US-9604932-B2 Substituted 1-pyrrolidinyloxy, 1-piperidinyloxy and 1-azepanyloxy compounds for treating diseases associated with oxidative stress or endothelial dysfunction RADIKAL THERAPEUTICS INC. (US) 2017-03-28 US disclosed
CN-105283181-A Prodrugs of multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC 2016-01-27 CN disclosed
EP-2964218-A2 PRODRUGS OF MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Radikal Therapeutics Inc. (US) 2016-01-13 EP disclosed
US-20160002171-A1 PRODRUGS OF MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Salzman Group, Inc. 2016-01-07 US disclosed
US-20140371267-A1 OPHTHALMIC COMPOSITION WITH NITRIC OXIDE DONOR COMPOUND AND METHOD OF FORMING AND USING SAME ALCON RESEARCH, LTD. (US) 2014-12-18 US disclosed
WO-2014136059-A2 PRODRUGS OF MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2014-09-12 WO disclosed
US-20100197702-A1 OPHTHALMIC COMPOSITION WITH NITRIC OXIDE DONOR COMPOUND AND METHOD OF FORMING AND USING SAME ALCON RESEARCH, LTD. 2010-08-05 US disclosed
US-20080149097-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB YISSUM RESEARCH DEVELOPMENT COMPANY OF HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-06-26 US disclosed
US-7378438-B2 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-05-27 US disclosed
EP-1503754-B1 BETA-AGONIST COMPOUNDS COMPRISING NITRIC OXIDE DONOR GROUPS AND REACTIVE OXYGEN SPECIES SCAVENGER GROUPS AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISORDERS YISSUM RES DEV CO (IL) 2005-11-23 EP disclosed
US-20050228184-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-10-13 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 (7 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-20170327466-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH OXIDATIVE STRESS OR ENDOTHELIAL DYSFUNCTION CYP11B1, CYP11B2, GPX4 ADORA3 1677/4885ADORA1 1254/4885GAA 642/4885
US-20160002171-A1 PRODRUGS OF MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOS1, NOX1, NOS2 ADORA3 1752/4885ADORA1 1275/4885GAA 919/4885
US-20140371267-A1 OPHTHALMIC COMPOSITION WITH NITRIC OXIDE DONOR COMPOUND AND METHOD OF FORMING AND USING SAME NOS1, NOS3, NOS2 ADORA3 130/4885ADORA1 89/4885GAA 4474/4885
US-20080149097-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB ADRA2B, ADRA1B, ADRB1 ADORA3 62/4885ADORA1 58/4885GAA 2496/4885
US-20100197702-A1 OPHTHALMIC COMPOSITION WITH NITRIC OXIDE DONOR COMPOUND AND METHOD OF FORMING AND USING SAME NOS1, NOS3, NOS2 ADORA3 130/4885ADORA1 89/4885GAA 4474/4885
US-20050228184-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disorders ADRB1, ADRB2, ADRB3 ADORA3 49/4885ADORA1 54/4885GAA 2089/4885
US-10000455-B2 Method for treating diseases associated with oxidative stress or endothelial dysfunction using substituted 1-pyrrolidinyloxy, 1-piperidinyloxy and 1-azepanyloxy compounds GPX1, LIPG, CYP11B1 ADORA3 1838/4885ADORA1 763/4885GAA 903/4885

“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.