SCHEMBL3349596

SCHEMBL3349596

N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ADRB2 P07550 5/20 0.46
F2 P00734 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BACE1 P56817 3/20 0.39
CTSD P07339 1/20 0.39
CSNK1E P49674 1/20 0.38
KCNH2 Q12809 1/20 0.38
ADRB3 P13945 2/20 0.37
ADRA1D P25100 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL3354800 0.88 TAAR1 (0.46) ANPEPERAP2ADRB2F2KDM4E
SCHEMBL3348066 0.88 KDM4E (0.51) ANPEPERAP2ADRB2F2KDM4E
SCHEMBL3347864 0.87 ANPEP (0.55) ANPEPERAP2ADRB2F2ALDH1A1
SCHEMBL496056 0.87 ANPEP (0.55) ANPEPERAP2ADRB2F2ALDH1A1
SCHEMBL4044665 0.87 ANPEP (0.55) ANPEPERAP2ADRB2F2ALDH1A1
SCHEMBL4696783 0.87 ANPEP (0.55) ANPEPERAP2ADRB2F2ALDH1A1
SCHEMBL3357034 0.86 BCHE (0.49) ANPEPF2BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL5219517 0.86 ANPEP (0.54) ANPEPERAP2ADRB2F2CSNK1E
Hydrochloric Acid SCHEMBL496686 0.86 ANPEP (0.54) ANPEPERAP2ADRB2F2CSNK1E
SCHEMBL3356557 0.84 BCHE (0.49) ANPEPF2BACE1CTSDCSNK1E

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 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-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.