SCHEMBL3352638

SCHEMBL3352638

N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.44
CTSD P07339 4/20 0.44
BACE2 Q9Y5Z0 2/20 0.37
BCHE P06276 1/20 0.35
CTSB P07858 1/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL3356557 0.90 BCHE (0.49) BACE1CTSDBACE2BCHE
SCHEMBL3357034 0.90 BCHE (0.49) BACE1CTSDBACE2BCHE
SCHEMBL3351909 0.89 BACE1 (0.52) BACE1CTSDBACE2CTSB
SCHEMBL3353572 0.88 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL3351390 0.86 BACE1 (0.38) BACE1CTSDBACE2CTSBADRB1
SCHEMBL3178809 0.85 BACE1 (0.42) BACE1CTSDBACE2CTSB
SCHEMBL3350430 0.84 BACE1 (0.40) BACE1CTSDBACE2ADRB1
SCHEMBL5368307 0.84 BACE1 (0.48) BACE1CTSDBACE2BCHECTSB
SCHEMBL2874563 0.84 BACE1 (0.53) BACE1CTSDCTSB
SCHEMBL3354961 0.84 BACE1 (0.48) BACE1CTSDBACE2BCHECTSB

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 9 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
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO 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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 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 (3 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885CTSD 1351/4885BACE2 11/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE BACE1 26/4885CTSD 1109/4885BACE2 27/4885
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 BACE1 1/4885CTSD 96/4885BACE2 2/4885

“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.