SCHEMBL3357375

SCHEMBL3357375

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.45
BACE2 Q9Y5Z0 5/20 0.45
PSEN1 P49768 9/20 0.40
PSEN2 P49810 9/20 0.40
APH1B Q8WW43 9/20 0.40
NCSTN Q92542 9/20 0.40
APH1A Q96BI3 9/20 0.40
PSENEN Q9NZ42 9/20 0.40
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
PGGT1B P53609 2/20 0.35

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
SCHEMBL3347935 0.91 BACE1 (0.44) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL3349427 0.91 BACE1 (0.44) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL3347298 0.89 BACE1 (0.42) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL3357145 0.85 BACE1 (0.53) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL3356369 0.85 BACE1 (0.53) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL14577472 0.85 BACE1 (0.53) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL3356842 0.85 LAP3 (0.45) BACE1BACE2RENCTSD
SCHEMBL5434778 0.84 BACE1 (0.56) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL5434783 0.84 BACE1 (0.56) BACE1BACE2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL3349499 0.84 BACE1 (0.52) BACE1BACE2PSEN1PSEN2APH1B

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 9/4885PSEN1 2/4885
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 2/4885PSEN1 4/4885

“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.