SCHEMBL5709659

SCHEMBL5709659

C#CCC(NC(=O)[C@@H](Cc1ccccc1)OC(=O)N(C)CCN(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.57

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
SCHEMBL6926165 0.77 REN (0.58) REN
SCHEMBL5709668 0.75 REN (0.61) REN
SCHEMBL5709674 0.75 REN (0.62) REN
SCHEMBL5709573 0.73 REN (0.54) REN
SCHEMBL5709629 0.73 REN (0.60) REN
SCHEMBL5709621 0.71 REN (0.60) REN
SCHEMBL7311911 0.71 REN (0.57) REN
SCHEMBL5709580 0.71 REN (0.59) REN
SCHEMBL7344827 0.70 REN (0.64) REN
SCHEMBL6925430 0.70 REN (0.60) 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 14 patents. 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
US-20020025934-A1 Ethynyl alanine amino diol compounds for treatment of hypertension G.D. SEARLE & CO. (US) 2002-02-28 US claimed
US-6174923-B1 ADMINISTERING ETHYNYL ALANINE AMINO DIOL COMPOUND FOR TREATING HYPERTENSION G. D. SEARLE & CO. 2001-01-16 US claimed
US-5484811-A ADMINISTERING A RENIN INHIBITOR TO A SUBJECT G. D. SEARLE & CO. (US) 1996-01-16 US claimed
EP-0610451-A1 ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1994-08-17 EP claimed
US-5227401-A ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-07-13 US claimed
WO-1993009087-A1 ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1993-05-13 WO claimed
EP-0539976-A1 Ethynyl-alanine-amino-diol compounds for treatment of hypertension G.D. Searle & Co. (US) 1993-05-05 EP claimed
US-6174923-B1 ADMINISTERING ETHYNYL ALANINE AMINO DIOL COMPOUND FOR TREATING HYPERTENSION G. D. SEARLE & CO. 2001-01-16 US disclosed
US-5665598-A Synthesis of chiral N-protected-α-substituted-glycine free acids by zinc-mediated addition of organic halide to glycine cation equivalent G. D. SEARLE & CO. (US) 1997-09-09 US disclosed
US-5508466-A REACTING MIXTURE OF N-PROTECTED-ALPHA-SUBSTITUTED-GLYCINE CATION DERIVATIVE AND ELEMENTAL ZINC WITH ORGANIC HALIDE IN POLAR SOLVENT G.D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5227401-A ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-07-13 US disclosed
EP-0539976-A1 Ethynyl-alanine-amino-diol compounds for treatment of hypertension G.D. Searle & Co. (US) 1993-05-05 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-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease BACE1, BACE2, APP REN 2199/4885
US-20020025934-A1 Ethynyl alanine amino diol compounds for treatment of hypertension REN, AGTR1, AGT REN 1/4885

“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.