SCHEMBL3355145

SCHEMBL3355145

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.62
REN P00797 4/20 0.50
BCHE P06276 3/20 0.45
F2 P00734 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 1/20 0.43
LAP3 P28838 3/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
EPHX1 P07099 1/20 0.42
TRPA1 O75762 1/20 0.41

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
SCHEMBL6890116 1.00 CSNK1E (0.62) CSNK1ERENBCHEF2SIGMAR1
Hydrochloric Acid SCHEMBL5218980 0.99 CSNK1E (0.61) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL5226010 0.96 CSNK1E (0.65) CSNK1ERENBCHEF2SIGMAR1
Hydrochloric Acid SCHEMBL5219096 0.93 CSNK1E (0.66) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL5930069 0.91 CSNK1E (0.57) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL14627960 0.91 CSNK1E (0.53) CSNK1EBCHEF2ANPEPERAP2
Hydrochloric Acid SCHEMBL4692753 0.90 CSNK1E (0.56) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL6891598 0.90 CSNK1E (0.54) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL3349124 0.90 CSNK1E (0.54) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL3356645 0.87 SIGMAR1 (0.53) CSNK1EF2SIGMAR1ANPEPERAP2

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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 CSNK1E 580/4885REN 3625/4885BCHE 24/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP CSNK1E 2024/4885REN 2263/4885BCHE 12/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CSNK1E 3282/4885REN 2435/4885BCHE 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 CSNK1E 683/4885REN 669/4885BCHE 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.