SCHEMBL3354597

SCHEMBL3354597

COc1cc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
KDM4E B2RXH2 1/20 0.50
BCHE P06276 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
METAP2 P50579 1/20 0.47
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
G6PD P11413 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
SCHEMBL5221072 0.88 F2 (0.52) F2KDM4EBCHEMEN1KMT2A
SCHEMBL3355147 0.86 GAA (0.52) F2KDM4EBCHEKMT2AGAA
SCHEMBL3352016 0.85 BCHE (0.51) F2BCHEMEN1KMT2A
SCHEMBL5216965 0.82 BCHE (0.69) F2KDM4EBCHEMEN1KMT2A
SCHEMBL165644 0.81 BCHE (0.61) BCHEMEN1KMT2A
SCHEMBL4214871 0.81 BCHE (0.61) BCHEMEN1KMT2A
SCHEMBL7613744 0.81 BCHE (0.58) KDM4EBCHE
SCHEMBL7613758 0.81 BCHE (0.58) KDM4EBCHE
SCHEMBL3353939 0.81 BCHE (0.61) F2BCHEMEN1KMT2ALMNA
SCHEMBL496172 0.81 BCHE (0.61) F2BCHEMEN1KMT2ALMNA

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 F2 1807/4885KDM4E 2432/4885BCHE 12/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT F2 2890/4885KDM4E 1983/4885BCHE 8/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE F2 4578/4885KDM4E 242/4885BCHE 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 986/4885KDM4E 4082/4885BCHE 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.