SCHEMBL3347864

SCHEMBL3347864

N[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.55
ERAP2 Q6P179 1/20 0.55
ADRB2 P07550 3/20 0.50
CSNK1E P49674 1/20 0.48
F2 P00734 1/20 0.47
EPHX1 P07099 1/20 0.46
SIGMAR1 Q99720 4/20 0.44
BCHE P06276 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.43
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2C8 P10632 1/20 0.43

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
SCHEMBL496056 1.00 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL4696783 1.00 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL4044665 1.00 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1EF2
Hydrochloric Acid SCHEMBL496686 0.98 ANPEP (0.54) ANPEPERAP2ADRB2CSNK1EF2
Hydrochloric Acid SCHEMBL5219517 0.98 ANPEP (0.54) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL3348102 0.92 ANPEP (0.48) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL3348066 0.92 KDM4E (0.51) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL3357077 0.92 ANPEP (0.48) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL6890169 0.92 ANPEP (0.48) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL4038793 0.92 ANPEP (0.48) ANPEPERAP2ADRB2CSNK1EF2

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
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US 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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (6 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 ANPEP 85/4885ERAP2 200/4885ADRB2 61/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP ANPEP 728/4885ERAP2 571/4885ADRB2 214/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT ANPEP 283/4885ERAP2 740/4885ADRB2 222/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 ANPEP 47/4885ERAP2 121/4885ADRB2 56/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE ANPEP 135/4885ERAP2 282/4885ADRB2 710/4885
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 ANPEP 140/4885ERAP2 380/4885ADRB2 473/4885

“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.