SCHEMBL3352899

SCHEMBL3352899

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.46
BACE2 Q9Y5Z0 5/20 0.46
SMYD3 Q9H7B4 1/20 0.35
CTSD P07339 2/20 0.35
MASP2 O00187 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
REN P00797 1/20 0.33
LAP3 P28838 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ANPEP P15144 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32

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
SCHEMBL3357145 0.90 BACE1 (0.53) BACE1BACE2CTSDMASP2LAP3
SCHEMBL14577472 0.90 BACE1 (0.53) BACE1BACE2CTSDMASP2LAP3
SCHEMBL3356369 0.90 BACE1 (0.53) BACE1BACE2CTSDMASP2LAP3
Hydrochloric Acid SCHEMBL3349499 0.89 BACE1 (0.52) BACE1BACE2CTSDMASP2LAP3
SCHEMBL13333829 0.85 MASP2 (0.48) BACE1BACE2MASP2LAP3KMT2A
SCHEMBL3356614 0.85 MASP2 (0.48) BACE1BACE2MASP2LAP3KMT2A
SCHEMBL14577806 0.85 MASP2 (0.48) BACE1BACE2MASP2LAP3KMT2A
SCHEMBL7619083 0.82 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL7619087 0.82 BACE1 (0.58) BACE1BACE2CTSD
Trifluoroacetic Acid SCHEMBL6702621 0.81 MASP2 (0.45) BACE1BACE2MASP2LAP3ANPEP

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 7 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-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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 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 (2 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 BACE1 4/4885BACE2 9/4885SMYD3 2532/4885
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 1/4885BACE2 2/4885SMYD3 4550/4885

“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.