SCHEMBL3353939

SCHEMBL3353939

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.61
ANPEP P15144 1/20 0.53
BACE1 P56817 2/20 0.51
SLC6A11 P48066 1/20 0.51
CSNK1E P49674 1/20 0.50
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
F2 P00734 1/20 0.49
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
DNM1 Q05193 1/20 0.44
MMP2 P08253 1/20 0.44
LMNA P02545 1/20 0.44
SLC15A1 P46059 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL7951036 1.00 BCHE (0.61) BCHEANPEPBACE1SLC6A11CSNK1E
SCHEMBL2605624 1.00 BCHE (0.61) BCHEANPEPBACE1SLC6A11CSNK1E
SCHEMBL496172 1.00 BCHE (0.61) BCHEANPEPBACE1SLC6A11CSNK1E
Hydrochloric Acid SCHEMBL497150 0.98 BCHE (0.60) BCHEANPEPBACE1SLC6A11CSNK1E
Hydrochloric Acid SCHEMBL5225060 0.98 BCHE (0.60) BCHEANPEPBACE1SLC6A11CSNK1E
SCHEMBL7300383 0.91 CSNK1E (0.54) BCHEANPEPCSNK1EF2EPHX1
SCHEMBL3382581 0.91 BCHE (0.53) BCHEANPEPBACE1SLC6A11CSNK1E
SCHEMBL6894816 0.91 BCHE (0.53) BCHEANPEPBACE1SLC6A11OPRD1
SCHEMBL3351836 0.91 BCHE (0.53) BCHEANPEPBACE1SLC6A11OPRD1
SCHEMBL6887793 0.91 BCHE (0.53) BCHEANPEPBACE1SLC6A11CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-4153561-B1 9H-FLUOREN DERIVATES OR THEIR PHARMACEUTICALLY ACCEPTABLE SALTS UNIV JAGIELLONSKI (PL) 2026-04-29 EP disclosed
US-12492163-B2 9H-fluorene derivatives or their pharmaceutically acceptable salts UNIWERSYTET JAGIELLONSKI (PL) 2025-12-09 US disclosed
US-20230117233-A1 NOVEL 9H-FLUORENE DERIVATIVES OR THEIR PHARMACEUTICALLY ACCEPTABLE SALTS UNIWERSYTET JAGIELLONSKI (PL) 2023-04-20 US disclosed
EP-4153561-A2 9H-FLUOREN DERIVATES OR THEIR PHARMACEUTICALLY ACCEPTABLE SALTS UNIWERSYTET JAGIELLONSKI (PL) 2023-03-29 EP disclosed
WO-2021235956-A2 NOVEL 9H-FLUORENE DERIVATIVES OR THEIR PHARMACEUTICALLY ACCEPTABLE SALTS Uniwersytet Jagielloński (PL) 2021-11-25 WO disclosed
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
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP 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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (7 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 BCHE 24/4885ANPEP 85/4885BACE1 2/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BCHE 12/4885ANPEP 728/4885BACE1 4/4885
US-20230117233-A1 NOVEL 9H-FLUORENE DERIVATIVES OR THEIR PHARMACEUTICALLY ACCEPTABLE SALTS BACE1, BACE2, APP BCHE 4/4885ANPEP 165/4885BACE1 1/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 BCHE 11/4885ANPEP 47/4885BACE1 3/4885
US-12492163-B2 9H-fluorene derivatives or their pharmaceutically acceptable salts BACE1, BACE2, APP BCHE 5/4885ANPEP 156/4885BACE1 1/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE BCHE 3/4885ANPEP 135/4885BACE1 26/4885
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 17/4885ANPEP 140/4885BACE1 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.