SCHEMBL3352254

SCHEMBL3352254

Cc1ccccc1CNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.48
DNM1 Q05193 1/20 0.46
CSNK1E P49674 1/20 0.46
F2 P00734 2/20 0.46
HTT P42858 1/20 0.43
CHRM2 P08172 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SCN4A P35499 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL3351750 0.91 F2 (0.46) BCHEDNM1CSNK1EF2BACE1
Hydrochloric Acid SCHEMBL5222024 0.85 F2 (0.43) BCHECSNK1EF2SCN4A
SCHEMBL3349188 0.84 BCHE (0.47) BCHECSNK1EF2BACE1OPRD1
SCHEMBL6894923 0.84 BCHE (0.47) BCHECSNK1EF2BACE1OPRD1
SCHEMBL496172 0.84 BCHE (0.61) BCHEDNM1CSNK1EF2BACE1
SCHEMBL3353939 0.84 BCHE (0.61) BCHEDNM1CSNK1EF2BACE1
SCHEMBL2605624 0.84 BCHE (0.61) BCHEDNM1CSNK1EF2BACE1
SCHEMBL7951036 0.84 BCHE (0.61) BCHEDNM1CSNK1EF2BACE1
SCHEMBL3357054 0.83 LMNA (0.50) BCHEDNM1CSNK1EF2CHRM2
SCHEMBL3348531 0.83 BCHE (0.46) BCHECSNK1EF2BACE1

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 9 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-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 BCHE 24/4885DNM1 2834/4885CSNK1E 580/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BCHE 12/4885DNM1 797/4885CSNK1E 2024/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BCHE 8/4885DNM1 1107/4885CSNK1E 1817/4885
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 BCHE 17/4885DNM1 828/4885CSNK1E 683/4885

“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.