SCHEMBL4427296

SCHEMBL4427296

N[C@H](CCc1cccc(CCOCCO[N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 7/20 0.42
GRM4 Q14833 7/20 0.42
GRM6 O15303 4/20 0.42
GRIK1 P39086 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC7A5 Q01650 1/20 0.38
LTA4H P09960 1/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL6065064 0.81 GRIK1 (0.45) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3309307 0.77 PTGS1 (0.41) GRIK1PTGS1PTGS2
SCHEMBL4426861 0.77 CTSK (0.47)
Hydrochloric Acid SCHEMBL3306995 0.76 PTGS1 (0.40) GRIK1PTGS1PTGS2
SCHEMBL6378815 0.73 GRIK1 (0.52) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL13397068 0.73 SLC1A1 (0.40) GRM8GRM4GRM6GRIK1GRIA1
SCHEMBL18886122 0.72 GRIK1 (0.51) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3305810 0.72 LMNA (0.44) GRIK1PTGS1PTGS2LTA4H
SCHEMBL3307185 0.72 PTGS1 (0.46) GRIK1PTGS1PTGS2
SCHEMBL456815 0.71 NOS1 (0.45) GRM8GRM4GRM6GRIK1GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635816-B1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX SA (FR) 2009-03-04 EP disclosed
US-7217733-B2 ACE inhibitor derivatives NICOX, S.A. (FR) 2007-05-15 US disclosed
EP-1635816-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Nicox S.A. (FR) 2006-03-22 EP disclosed
US-20050004100-A1 ACE inhibitor derivatives NICOX S.A. (FR) 2005-01-06 US disclosed
WO-2004110432-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2004-12-23 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 (1 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-20050004100-A1 ACE inhibitor derivatives ACE, ACE2, AGTR1 GRM8 3712/4885GRM4 3232/4885GRM6 3986/4885

“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.