SCHEMBL3352089

SCHEMBL3352089

CCCOCCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.47
BACE1 P56817 7/20 0.47
SLC6A11 P48066 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 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
SCHEMBL3352097 1.00 BCHE (0.47) BCHEBACE1SLC6A11KDM4ELMNA
SCHEMBL3357526 0.89 BACE1 (0.48) BCHEBACE1SLC6A11
SCHEMBL3357521 0.89 BACE1 (0.48) BCHEBACE1SLC6A11
SCHEMBL7606164 0.88 ALDH1A1 (0.47) BCHEBACE1SLC6A11
SCHEMBL6889830 0.88 ALDH1A1 (0.47) BCHEBACE1SLC6A11
SCHEMBL7606169 0.88 ALDH1A1 (0.47) BCHEBACE1SLC6A11
SCHEMBL3347686 0.86 BACE1 (0.50) BCHEBACE1SLC6A11
SCHEMBL3347692 0.86 BACE1 (0.50) BCHEBACE1SLC6A11
SCHEMBL7614124 0.85 BACE1 (0.51) BCHEBACE1SLC6A11
SCHEMBL6888172 0.85 BACE1 (0.51) BCHEBACE1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US 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 (4 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BCHE 12/4885BACE1 4/4885SLC6A11 1555/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BCHE 8/4885BACE1 7/4885SLC6A11 809/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE BCHE 3/4885BACE1 26/4885SLC6A11 1121/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP BCHE 17/4885BACE1 1/4885SLC6A11 4466/4885

“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.