SCHEMBL757453

SCHEMBL757453

CCC(C)(C)OC(=O)C1CCNC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 6/20 0.35
CCR2 P41597 1/20 0.33
LMNA P02545 1/20 0.30
ALDH2 P05091 1/20 0.30

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
SCHEMBL737361 0.84 MAPK1 (0.37) SLC5A1CCR2
SCHEMBL1467839 0.80 ALDH1A1 (0.43)
SCHEMBL28056841 0.79 TSHR (0.41)
SCHEMBL2153275 0.77 BRD4 (0.43)
SCHEMBL5363097 0.76 HRH3 (0.36)
SCHEMBL15565329 0.75 KMT2A (0.36) CCR2LMNA
SCHEMBL16380493 0.74 KMT2A (0.33) SLC5A1CCR2ALDH2
SCHEMBL16887697 0.74 KMT2A (0.33) SLC5A1CCR2ALDH2
SCHEMBL19322915 0.74 CCR2 (0.35) SLC5A1CCR2ALDH2
SCHEMBL16887695 0.74 KMT2A (0.33) SLC5A1CCR2ALDH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399473-B2 Macrocyclic spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-03-19 US disclosed
EP-2073635-B1 MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-20100029701-A1 MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-04 US disclosed
EP-2073635-A1 MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-07-01 EP disclosed
WO-2008045250-A1 MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-04-17 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-20100029701-A1 MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP SLC5A1 3409/4885CCR2 3505/4885LMNA 952/4885

“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.