SCHEMBL3352849

SCHEMBL3352849

N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](CO)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
F2 P00734 1/20 0.46
EPHX1 P07099 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
BCHE P06276 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPA1 O75762 1/20 0.42

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
SCHEMBL4039327 0.84 CSNK1E (0.57) CSNK1EF2BCHEMEN1KMT2A
SCHEMBL3347082 0.83 CSNK1E (0.49) CSNK1EF2EPHX1BCHETRPA1
SCHEMBL3350954 0.83 CSNK1E (0.49) CSNK1EF2EPHX1BCHETRPA1
SCHEMBL3349239 0.82 BCHE (0.47) CSNK1EF2EPHX1BCHETRPA1
SCHEMBL4694651 0.82 CSNK1E (0.58) CSNK1EF2EPHX1BCHEMEN1
SCHEMBL3356141 0.82 BCHE (0.47) CSNK1EF2EPHX1BCHETRPA1
SCHEMBL5382881 0.81 CSNK1E (0.53) CSNK1EF2EPHX1ADRB1ADRB3
SCHEMBL7300383 0.80 CSNK1E (0.54) CSNK1EF2EPHX1BCHE
SCHEMBL8690233 0.79 EPHX1 (0.58) CSNK1EF2EPHX1TRPA1
SCHEMBL4502384 0.79 EPHX1 (0.58) CSNK1EF2EPHX1TRPA1

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
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-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 CSNK1E 2024/4885F2 1807/4885EPHX1 265/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CSNK1E 1817/4885F2 2890/4885EPHX1 239/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CSNK1E 3282/4885F2 4578/4885EPHX1 95/4885
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 CSNK1E 683/4885F2 986/4885EPHX1 1903/4885

“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.