SCHEMBL5151436

SCHEMBL5151436

O=[N+]([O-])OCC1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
MAP2K1 Q02750 1/20 0.36
SCN9A Q15858 1/20 0.35
KMT2A Q03164 2/20 0.35
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
EPHX1 P07099 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
EED O75530 1/20 0.33
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8957450 0.78
SCHEMBL8260874 0.77 TDP1 (0.36) CPN1CPB2MMP2MMP9SLC6A1
SCHEMBL8957322 0.77 CCNA2 (0.41) KMT2AMMP2MMP9LMNA
SCHEMBL23829716 0.74
SCHEMBL9875012 0.74 ALDH1A1 (0.40) MMP2MMP9TSHR
SCHEMBL6438537 0.74 ALDH1A1 (0.40) MMP2MMP9TSHR
Nitric Acid SCHEMBL9344153 0.73 TDP1 (0.33) CPN1CPB2MMP2MMP9SLC6A1
SCHEMBL3444600 0.71 SCN9A (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL28863484 0.71 SCN9A (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL28241589 0.71 SCN9A (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1

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
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
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
WO-2012076667-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LIMITED (IE) 2012-06-14 WO disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
EP-1673384-A4 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2007-02-07 EP disclosed
EP-1673384-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-06-28 EP disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 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 (2 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-20130338118-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE MMP9, NOS2, MMP1 CHRNB2 4116/4885CHRNA4 4601/4885CHRNB4 4504/4885
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 CHRNB2 1475/4885CHRNA4 1487/4885CHRNB4 1667/4885

“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.