SCHEMBL8260874

SCHEMBL8260874

O=[N+]([O-])OCC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
HTR3A P46098 2/20 0.34
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A3 Q01959 2/20 0.32
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 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
Nitric Acid SCHEMBL9344153 0.94 TDP1 (0.33) TDP1MMP2MMP9SLC6A2SLC6A4
SCHEMBL23829716 0.84
SCHEMBL6438537 0.84 ALDH1A1 (0.40) MMP2MMP9ALDH1A1
SCHEMBL9875012 0.84 ALDH1A1 (0.40) MMP2MMP9ALDH1A1
SCHEMBL8957450 0.80
SCHEMBL8259490 0.80 MMP2 (0.38) MMP2MMP9SLC6A4ALDH1A1
SCHEMBL9799676 0.78 GABRP (0.40) TDP1MMP2MMP9ALDH1A1GABRA5
SCHEMBL8957322 0.78 CCNA2 (0.41) MMP2MMP9ALDH1A1
SCHEMBL5151436 0.77 CHRNB2 (0.38) MMP2MMP9SLC6A1SLC6A11SLC6A13
SCHEMBL13714711 0.76 TDP1 (0.34) TDP1SLC6A2SLC6A4HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665472-B1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LTD (IE) 2022-07-06 EP disclosed
EP-2665472-B1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LTD (IE) 2022-07-06 EP disclosed
US-9566342-B2 Compounds for treatment of heart failure SOLVOTRIN INNOVATIONS LIMITED (IE) 2017-02-14 US disclosed
US-9566342-B2 Compounds for treatment of heart failure SOLVOTRIN INNOVATIONS LIMITED (IE) 2017-02-14 US disclosed
US-9566342-B2 Compounds for treatment of heart failure SOLVOTRIN INNOVATIONS LIMITED (IE) 2017-02-14 US disclosed
CN-103145705-B Beta-carboline alkaloid derivative, its preparation method and medicinal use thereof NANTONG UNIVERSITY (CN) 2016-04-06 CN disclosed
US-20130338118-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LIMITED (IE) 2013-12-19 US disclosed
EP-2665472-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE Solvotrin Innovations Limited (IE) 2013-11-27 EP disclosed
CN-103145705-A Beta-carboline alkaloid derivatives and their preparation method and medical use UNIV NANTONG 2013-06-12 CN disclosed
WO-2012076667-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LIMITED (IE) 2012-06-14 WO disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
WO-2007123818-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-11-01 WO disclosed
WO-2007016136-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-08 WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 WO disclosed
EP-0366004-B1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed
EP-0366004-A1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof Roche Diagnostics GmbH (DE) 1990-05-02 EP 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 (3 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 TDP1 346/4885MMP2 2167/4885MMP9 1181/4885
US-20130338118-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE MMP9, NOS2, MMP1 TDP1 2127/4885MMP2 13/4885MMP9 1/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 TDP1 1551/4885MMP2 908/4885MMP9 518/4885

“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.