SCHEMBL3346966

SCHEMBL3346966

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.39
ANPEP P15144 3/20 0.39
DNPEP Q9ULA0 3/20 0.39
RNPEP Q9H4A4 2/20 0.39
BACE1 P56817 10/20 0.38
CTSD P07339 4/20 0.38
ADRB1 P08588 1/20 0.36
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSNK1E P49674 1/20 0.31

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
SCHEMBL3350430 0.87 BACE1 (0.40) ANPEPBACE1CTSDADRB1
SCHEMBL3349058 0.83 CSNK1E (0.40) ANPEPBACE1CTSDADRB1CSNK1E
SCHEMBL3351390 0.82 BACE1 (0.38) BACE1CTSDADRB1CSNK1E
SCHEMBL3355984 0.82 ANPEP (0.39) ANPEPBACE1CTSDADRB1
SCHEMBL3352638 0.81 BACE1 (0.44) BACE1CTSDADRB1
SCHEMBL3352432 0.80 KDM4E (0.42) BACE1CTSDADRB1KMT2A
SCHEMBL4689505 0.80 LAP3 (0.59) LAP3ANPEPDNPEPRNPEPMEN1
SCHEMBL6894566 0.80 LAP3 (0.59) LAP3ANPEPDNPEPRNPEPMEN1
Hydrochloric Acid SCHEMBL5217902 0.80 ADRB1 (0.41) LAP3ANPEPDNPEPRNPEPBACE1
SCHEMBL4890232 0.79 ADRA2A (0.39) BACE1CTSDADRB1

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 10 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
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 (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 LAP3 2618/4885ANPEP 728/4885DNPEP 682/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT LAP3 1913/4885ANPEP 283/4885DNPEP 143/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE LAP3 500/4885ANPEP 135/4885DNPEP 38/4885
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 LAP3 663/4885ANPEP 140/4885DNPEP 49/4885

“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.