SCHEMBL2045662

SCHEMBL2045662

CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.54
NMUR2 Q9GZQ4 4/20 0.50
NMUR1 Q9HB89 3/20 0.50
CTSD P07339 2/20 0.50
ACE P12821 5/20 0.49
CTSE P14091 1/20 0.48
BACE1 P56817 1/20 0.48
ACE2 Q9BYF1 4/20 0.48
F2 P00734 1/20 0.48

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
SCHEMBL7419554 1.00 REN (0.54) RENNMUR2NMUR1CTSDACE
SCHEMBL7411063 0.93 ACE (0.56) RENNMUR2ACEACE2
SCHEMBL8060131 0.93 ACE (0.56) RENNMUR2ACEACE2
SCHEMBL8334047 0.91 CALCRL (0.49) RENNMUR2CTSDCTSEBACE1
SCHEMBL6374240 0.89 OPRM1 (0.52) ACEACE2
SCHEMBL27499487 0.85 REN (0.49) RENNMUR2NMUR1CTSDACE
SCHEMBL5208748 0.84 CTSD (0.49) CTSDACECTSEBACE1ACE2
SCHEMBL7414240 0.83 ACE (0.49) RENCTSDACECTSEBACE1
SCHEMBL30788009 0.81 NMUR2 (0.53) NMUR2NMUR1ACEACE2
SCHEMBL8330748 0.81 ACE (0.60) ACEBACE1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US claimed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 US claimed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 WO claimed
US-20230255931-A1 PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF TISSUE INJURY MEDREGEN, LLC 2023-08-17 US disclosed
US-20220184043-A1 METHODS OF TREATING INFLAMMATORY BOWEL DISEASE WITH AMD3100 AND TACROLIMUS MEDREGEN, LLC 2022-06-16 US disclosed
EP-3914599-A1 NON-IMMUNOSUPPRESSIVE FK506 ANALOGS AND USE THEREOF The Johns Hopkins University (US) 2021-12-01 EP disclosed
US-20210251954-A1 METHODS OF RECRUITING SDF-PRODUCING MACROPHAGES MEDREGEN, LLC 2021-08-19 US disclosed
EP-3808368-A2 TREATMENT METHODS UTILIZING STEM CELL MOBILIZERS AND IMMUNOSUPPRESSIVE AGENTS Medregen, LLC (US) 2021-04-21 EP disclosed
US-10945993-B2 Methods of recruiting SDF-producing macrophages MEDREGEN, LLC (US) 2021-03-16 US disclosed
US-20210008042-A1 TREATMENT METHODS UTILIZING STEM CELL MOBILIZERS AND IMMUNOSUPPRESSIVE AGENTS MEDREGEN LLC (US) 2021-01-14 US disclosed
US-10813917-B2 Treatment methods utilizing stem cell mobilizers and immunosuppressive agents MEDREGEN, LLC (US) 2020-10-27 US disclosed
EP-1303492-A2 AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS ALPHA 4 INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-23 EP disclosed
US-20020091115-A1 Aza-bridged-bicyclic amino acid derivatives as alpha4 integrin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-07-11 US disclosed
WO-2002002556-A2 AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS α4 INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-01-10 WO disclosed
US-6248713-B1 OLIGOPEPTIDE FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BIOGEN, INC. 2001-06-19 US disclosed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 US disclosed
WO-2000002903-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 2000-01-20 WO disclosed
EP-0737204-A4 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORP (US) 1999-06-23 EP disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 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-20020091115-A1 Aza-bridged-bicyclic amino acid derivatives as alpha4 integrin antagonists ITGA4, ITGA1, ITGB4 REN 2586/4885NMUR2 849/4885NMUR1 520/4885

“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.