SCHEMBL5709590

SCHEMBL5709590

COc1cccc2cc(C(=O)NC[C@H](C)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)CC(C)C)oc12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.49
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL5709591 0.89 REN (0.47) REN
SCHEMBL9730905 0.86 REN (0.53) REN
SCHEMBL5709585 0.86 REN (0.53) REN
SCHEMBL5709604 0.80 REN (0.50) REN
SCHEMBL5709601 0.76 REN (0.54) REN
SCHEMBL7373422 0.75 REN (0.50) REN
SCHEMBL5709600 0.74 REN (0.66) REN
SCHEMBL9582660 0.74 REN (0.53) REN
SCHEMBL5709655 0.74 REN (0.53) REN
SCHEMBL5709636 0.73 CCR1 (0.64) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1712227-A1 Amino diols useful in the treatment of Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-10-18 EP claimed
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease SCHOSTAREZ HEINRICH J (US) 2005-04-14 US claimed
EP-1712227-A1 Amino diols useful in the treatment of Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-10-18 EP disclosed
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease SCHOSTAREZ HEINRICH J (US) 2005-04-14 US disclosed
EP-0431520-B1 Heterocyclic acyl aminodiol beta-amino acid derivatives SEARLE & CO (US) 1995-02-08 EP disclosed
US-5283250-A Renin inhibitor;hypotensive agent G. D. SEARLE & CO. (US) 1994-02-01 US disclosed
US-5231111-A Imidazolyl/imidazolylalkyl-N-terminal cycloalkoxy-C-terminal amino hydroxy β-amino acid derivatives G. D. SEARLE & CO. (US) 1993-07-27 US disclosed
US-5223532-A Chromonyl/chromonylalkyl-N-terminal cycloalkoxy-C-terminal amino hydroxy β-amino derivatives G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
US-5223514-A Renin inhibiros, hypotensive agents G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
US-5223534-A Renin inhibitors, hypotensive agents G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
US-5217989-A Benothiophenyl/benzothiophenylalkyl-N-terminal cycloalkoxy-C-terminal amino hydroxy β-amino acid derivatives G. D. SEARLE & CO. (US) 1993-06-08 US disclosed
US-5215996-A Renin inhibitors; hypotensive agents G. D. SEARLE & CO. (US) 1993-06-01 US disclosed
US-5216013-A Aralkyl-N-terminal cycloalkoxy-C terminal amino hydroxy β-amino acid derivatives G. D. SEARLE & CO. (US) 1993-06-01 US disclosed
US-5212174-A Renin inhibitors for hypotensive agents G. D. SEARLE & CO. (US) 1993-05-18 US disclosed
US-5180725-A Renin inhibitors G. D. SEARLE & CO. (US) 1993-01-19 US disclosed
US-5180744-A Renin inhibitors; hypotensive agents G. D. SEARLE & CO. (US) 1993-01-19 US disclosed
US-5175170-A Renin inhibitors, hypotensive agents G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
US-5175181-A Renin inhibitors, hypotensive agents G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
US-5147888-A Hypotensive agents; renin inhibitors G. D. SEARLE & CO. (US) 1992-09-15 US disclosed
EP-0431520-A2 Heterocyclic acyl aminodiol beta-amino acid derivatives G.D. Searle & Co. (US) 1991-06-12 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 (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-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease BACE1, BACE2, APP REN 2199/4885HDAC1 1601/4885HDAC2 2663/4885

“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.