SCHEMBL5709607

SCHEMBL5709607

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)CNC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
REN P00797 15/20 0.52
HPGD P15428 3/20 0.49
RECQL P46063 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL5709653 0.92 REN (0.50) REN
SCHEMBL5709664 0.85 REN (0.51) REN
SCHEMBL9249864 0.82 REN (0.62) REN
SCHEMBL5709565 0.82 REN (0.62) REN
SCHEMBL5709655 0.78 REN (0.53) RENALDH1A1
SCHEMBL9582660 0.78 REN (0.53) RENALDH1A1
SCHEMBL7345581 0.78 REN (0.50) REN
SCHEMBL5709640 0.78 REN (0.55) REN
SCHEMBL5709639 0.77 REN (0.45) RENALDH1A1
SCHEMBL9583268 0.76 REN (0.45) RENKDM4EALDH1A1L3MBTL1

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 21 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-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-5217991-A Renin inhibitors for treating hypertension G. D. SEARLE & CO. (US) 1993-06-08 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-5175181-A Renin inhibitors, hypotensive agents G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
US-5175170-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 MAPT 42/4885REN 2199/4885HPGD 317/4885

“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.