SCHEMBL6417922

SCHEMBL6417922

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCC

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.87
LMNA P02545 2/20 0.87
SMN1; SMN2 Q16637 1/20 0.80
ABCB11 O95342 2/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
PDE3A Q14432 1/20 0.58

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
SCHEMBL7324222 1.00 ACE (0.87) ACELMNASMN1; SMN2ABCB11MEN1
Hydrochloric Acid SCHEMBL6414637 0.99 ACE (0.85) ACELMNASMN1; SMN2ABCB11MEN1
Hydrochloric Acid SCHEMBL7333419 0.99 ACE (0.85) ACELMNASMN1; SMN2ABCB11MEN1
Maleic Acid SCHEMBL7258070 0.95 SMN1; SMN2 (0.88) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL9863830 0.95 ACE (0.82) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL10802722 0.95 ACE (0.82) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL16364868 0.95 ACE (0.85) ACELMNASMN1; SMN2ABCB11MEN1
Enalaprilat Anhydrous SCHEMBL7258975 0.95 ACE (0.88) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL3126925 0.94 ACE (0.80) ACELMNASMN1; SMN2ABCB11
Enalapril SCHEMBL6159149 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1

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
US-20050100589-A1 Transdermal administration of ace inhibitors NOVEN PHARMACEUTICALS, INC. 2005-05-12 US claimed
US-6805878-B2 TOPICAL ADMINISTERING ENALAPRILAT NOVEN PHARMACEUTICALS, INC. 2004-10-19 US claimed
US-20030064933-A1 Transdermal administration of ACE inhibitors NOVEN PHARMACEUTICALS, INC. 2003-04-03 US claimed
WO-2003022270-A1 TRANSDERMAL ADMINISTRATION OF AN ENALAPRIL ESTER NOVEN PHARMACEUTICALS, INC. (US) 2003-03-20 WO claimed
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 EP claimed
EP-2537534-B1 Esters of (1S,9S)-9-[[(1S)-1-carboxy-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid and their therapeutic use. HEXAL AG (DE) 2014-12-17 EP disclosed
US-8785431-B2 Prodrugs of (1S,9S)-9-[[(1S)-1-carboxy-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid and their use in transdermal therapeutic systems HEXAL AG (DE) 2014-07-22 US disclosed
US-20140147477-A1 PRODRUGS OF (1S,9S)-9-[[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO]OCTAHYDRO-10-OXO-6H-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID AND THEIR USE IN TRANSDERMAL THERAPEUTIC SYSTEMS HEXAL AG (DE) 2014-05-29 US disclosed
WO-2012175554-A1 PRODRUGS OF (1S,9S)-9-[[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO]OCTAHYDRO-10-OXO-6H-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID AND THEIR USE IN TRANSDERMAL THERAPEUTIC SYSTEMS HEXAL AG (DE) 2012-12-27 WO disclosed
EP-2537534-A1 Prodrugs of (1S,9S)-9-[[(1S)-1-carboxy-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid and their use in transdermal therapeutic systems Hexal AG (DE) 2012-12-26 EP disclosed
US-20050100589-A1 Transdermal administration of ace inhibitors NOVEN PHARMACEUTICALS, INC. 2005-05-12 US disclosed
US-20050100589-A1 Transdermal administration of ace inhibitors NOVEN PHARMACEUTICALS, INC. 2005-05-12 US disclosed
US-6805878-B2 TOPICAL ADMINISTERING ENALAPRILAT NOVEN PHARMACEUTICALS, INC. 2004-10-19 US disclosed
US-6805878-B2 TOPICAL ADMINISTERING ENALAPRILAT NOVEN PHARMACEUTICALS, INC. 2004-10-19 US disclosed
US-20030064933-A1 Transdermal administration of ACE inhibitors NOVEN PHARMACEUTICALS, INC. 2003-04-03 US disclosed
US-20030064933-A1 Transdermal administration of ACE inhibitors NOVEN PHARMACEUTICALS, INC. 2003-04-03 US disclosed
WO-2003022270-A1 TRANSDERMAL ADMINISTRATION OF AN ENALAPRIL ESTER NOVEN PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
WO-2003022270-A1 TRANSDERMAL ADMINISTRATION OF AN ENALAPRIL ESTER NOVEN PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 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-20140147477-A1 PRODRUGS OF (1S,9S)-9-[[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO]OCTAHYDRO-10-OXO-6H-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID AND THEIR USE IN TRANSDERMAL THERAPEUTIC SYSTEMS DPP9, CYP2C9, DPP7 ACE 10/4885LMNA 2972/4885SMN1; SMN2 2790/4885
US-20030064933-A1 Transdermal administration of ACE inhibitors ACE, AGT, AGTR1 ACE 1/4885LMNA 1238/4885SMN1; SMN2 2110/4885
US-20050100589-A1 Transdermal administration of ace inhibitors ACE, AGT, AGTR1 ACE 1/4885LMNA 1238/4885SMN1; SMN2 2110/4885

“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.