SCHEMBL3347304

SCHEMBL3347304

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.50
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
F2 P00734 2/20 0.42
REN P00797 2/20 0.41
BCHE P06276 4/20 0.41
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 1/20 0.40
LAP3 P28838 3/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
TRPA1 O75762 1/20 0.38
EPHX1 P07099 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL6890895 1.00 CSNK1E (0.50) CSNK1EMAPTKDM4ELMNAF2
SCHEMBL3354442 0.88 F2 (0.42) CSNK1EKDM4EF2BCHEANPEP
SCHEMBL6892294 0.88 F2 (0.42) CSNK1EKDM4EF2BCHEANPEP
SCHEMBL3349124 0.87 CSNK1E (0.54) CSNK1EKDM4EF2RENBCHE
SCHEMBL6891598 0.87 CSNK1E (0.54) CSNK1EKDM4EF2RENBCHE
SCHEMBL5434630 0.86 CSNK1E (0.43) CSNK1EMAPTKDM4ELMNAF2
SCHEMBL5930069 0.86 CSNK1E (0.57) CSNK1EF2RENBCHEANPEP
SCHEMBL3349680 0.85 CSNK1E (0.47) CSNK1EKDM4EF2BCHEANPEP
SCHEMBL6895070 0.85 CSNK1E (0.47) CSNK1EKDM4EF2BCHEANPEP
Hydrochloric Acid SCHEMBL4692753 0.85 CSNK1E (0.56) CSNK1EF2RENBCHEANPEP

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 8 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
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP 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 2024/4885MAPT 6/4885KDM4E 2432/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CSNK1E 1817/4885MAPT 6/4885KDM4E 1983/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CSNK1E 3282/4885MAPT 43/4885KDM4E 242/4885
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 683/4885MAPT 159/4885KDM4E 4082/4885

“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.