SCHEMBL3349680

SCHEMBL3349680

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
F2 P00734 2/20 0.46
POLB P06746 1/20 0.44
LTA4H P09960 1/20 0.42
LAP3 P28838 4/20 0.42
ANPEP P15144 4/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
BCHE P06276 3/20 0.41
EPHX1 P07099 1/20 0.41
ERAP2 Q6P179 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6895070 1.00 CSNK1E (0.47) CSNK1EF2POLBLTA4HLAP3
SCHEMBL3355926 0.92 CSNK1E (0.48) CSNK1EF2LTA4HLAP3ANPEP
SCHEMBL6890895 0.85 CSNK1E (0.50) CSNK1EF2LTA4HLAP3ANPEP
SCHEMBL3347304 0.85 CSNK1E (0.50) CSNK1EF2LTA4HLAP3ANPEP
SCHEMBL3349250 0.84 DRD4 (0.53) F2LTA4H
SCHEMBL6890855 0.84 DRD4 (0.53) F2LTA4H
SCHEMBL5930069 0.84 CSNK1E (0.57) CSNK1EF2LAP3ANPEPRNPEP
SCHEMBL6892294 0.83 F2 (0.42) CSNK1EF2LAP3ANPEPRNPEP
SCHEMBL3354442 0.83 F2 (0.42) CSNK1EF2LAP3ANPEPRNPEP
SCHEMBL14627960 0.83 CSNK1E (0.53) CSNK1EF2LAP3ANPEPRNPEP

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
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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 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 580/4885F2 4637/4885POLB 2189/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP CSNK1E 2024/4885F2 1807/4885POLB 2558/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CSNK1E 1817/4885F2 2890/4885POLB 2547/4885
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 986/4885POLB 2249/4885

“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.