SCHEMBL3354442

SCHEMBL3354442

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
CSNK1E P49674 1/20 0.42
BCHE P06276 3/20 0.39
EPHX1 P07099 1/20 0.39
LAP3 P28838 3/20 0.38
ANPEP P15144 2/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
MMP2 P08253 1/20 0.37
SLC15A1 P46059 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ERAP2 Q6P179 1/20 0.36

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
SCHEMBL6892294 1.00 F2 (0.42) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL3347304 0.88 CSNK1E (0.50) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL6890895 0.88 CSNK1E (0.50) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL6895070 0.83 CSNK1E (0.47) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL3349680 0.83 CSNK1E (0.47) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL4693184 0.83 F2 (0.40) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL3349250 0.82 DRD4 (0.53) F2
SCHEMBL6890855 0.82 DRD4 (0.53) F2
SCHEMBL3349626 0.82 CSNK1E (0.48) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL14627960 0.81 CSNK1E (0.53) F2CSNK1EBCHEEPHX1LAP3

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 6 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-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 (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 F2 1807/4885CSNK1E 2024/4885BCHE 12/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE F2 4578/4885CSNK1E 3282/4885BCHE 3/4885
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 F2 986/4885CSNK1E 683/4885BCHE 17/4885

“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.