SCHEMBL4430690

SCHEMBL4430690

O=C(OCCCO[N+](=O)[O-])[C@@H]1CCCN1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
TTPA P49638 1/20 0.32
TLR2 O60603 2/20 0.32
PTGS2 P35354 1/20 0.32
DPP4 P27487 3/20 0.32
DPP7 Q9UHL4 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
FAP Q12884 1/20 0.32
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 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
SCHEMBL3307245 1.00 PRCP (0.34) PRCPCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL3300548 0.99 TLR2 (0.33) PRCPCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL4430687 0.99 TLR2 (0.33) PRCPCA12CA1CA2CA4
SCHEMBL3403308 0.97 CA12 (0.36) PRCPCA12CA1CA2CA4
SCHEMBL3305980 0.97 CA12 (0.36) PRCPCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL4430625 0.96 CA12 (0.36) PRCPCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL3308857 0.96 CA12 (0.36) PRCPCA12CA1CA2CA4
SCHEMBL4433830 0.96 TLR2 (0.36) PRCPCA12CA1CA2CA4
Fumaric Acid SCHEMBL6373847 0.92 MEN1 (0.33) PRCPCA12CA1CA2CA4
Maleic Acid SCHEMBL6373843 0.92 MEN1 (0.33) PRCPCA12CA1CA2CA4

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 6 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
CN-1809345-A Enalapril-nitroxyderivatives derivatives and related compounds as ACE inhibitors for the treatment of cardiovascular diseases NICOX SA (FR) 2006-07-26 CN 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 PRCP 1469/4885CA12 3057/4885CA1 2929/4885

“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.