SCHEMBL7324072

SCHEMBL7324072

NCCCCC(N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.78
▸ REN P00797 1/20 0.47

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
SCHEMBL682298 1.00 ACE (0.78) ACEREN
SCHEMBL7330167 0.99 ACE (0.77) ACE
SCHEMBL7318593 0.99 ACE (0.77) ACE
SCHEMBL11272339 0.94 ACE (0.71) ACEREN
SCHEMBL7327307 0.93 ACE (0.70) ACEREN
SCHEMBL30999001 0.91 ACE (0.71) ACE
SCHEMBL11025470 0.89 ACE (0.65) ACEREN
SCHEMBL11025476 0.89 ACE (0.65) ACEREN
SCHEMBL7325587 0.89 ACE (0.65) ACEREN
SCHEMBL7365812 0.89 ACE (0.65) ACEREN

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463636-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1992-01-02 — — EP claimed
EP-0129136-B1 ANTIHYPERTENSIVE COMPOSITION MERCK & CO. INC. (US) 1991-10-30 — — EP claimed
EP-0168769-A2 Process for preparing carboxyalkyl dipeptides MERCK & CO. INC. (US) 1986-01-22 — — EP claimed
EP-0166257-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1986-01-02 — — EP claimed
EP-0129136-A2 Antihypertensive composition MERCK & CO. INC. (US) 1984-12-27 — — EP claimed
US-4472384-A INTERPHENYLENE 9-THIA-11-OXO-12-AZA PROSTANOIC ACID DERIVATIVE AND CARBOXYALKYLDIPEPTIDE MERCK & CO., INC. (US) 1984-09-18 — — US claimed
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 — — EP claimed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 — — US claimed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 — — EP claimed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
US-5081145-A Contractile prostaglandin antagonists MERCK FROSST CANADA, INC. (CA) 1992-01-14 — — US disclosed
EP-0463636-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1992-01-02 — — EP disclosed
EP-0129136-B1 ANTIHYPERTENSIVE COMPOSITION MERCK & CO. INC. (US) 1991-10-30 — — EP disclosed
EP-0129136-A2 Antihypertensive composition MERCK & CO. INC. (US) 1984-12-27 — — EP disclosed
US-4472384-A INTERPHENYLENE 9-THIA-11-OXO-12-AZA PROSTANOIC ACID DERIVATIVE AND CARBOXYALKYLDIPEPTIDE MERCK & CO., INC. (US) 1984-09-18 — — US disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 — — US disclosed
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 — — EP disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 — — US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 — — 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 (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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO ACE 114/4885REN 1131/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO ACE 114/4885REN 1131/4885

“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.

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