SCHEMBL3350997

SCHEMBL3350997

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nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.44
BACE2 Q9Y5Z0 9/20 0.44
REN P00797 1/20 0.35
LAP3 P28838 2/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
CTSD P07339 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL3352168 1.00 BACE1 (0.44) BACE1BACE2RENLAP3ANPEP
SCHEMBL14577472 0.89 BACE1 (0.53) BACE1BACE2LAP3ANPEPRNPEP
SCHEMBL3357145 0.89 BACE1 (0.53) BACE1BACE2LAP3ANPEPRNPEP
SCHEMBL3356369 0.89 BACE1 (0.53) BACE1BACE2LAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL3349499 0.88 BACE1 (0.52) BACE1BACE2LAP3ANPEPRNPEP
SCHEMBL3349427 0.86 BACE1 (0.44) BACE1BACE2RENLAP3ANPEP
SCHEMBL3347298 0.86 BACE1 (0.42) BACE1BACE2RENLAP3ANPEP
SCHEMBL3347935 0.86 BACE1 (0.44) BACE1BACE2RENLAP3ANPEP
SCHEMBL3357375 0.84 BACE1 (0.45) BACE1BACE2RENCTSD
SCHEMBL3352040 0.83 BACE1 (0.44) BACE1BACE2RENLAP3ANPEP

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 8 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-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

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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885BACE2 9/4885REN 2263/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885BACE2 11/4885REN 2122/4885
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 2/4885REN 669/4885

“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.