SCHEMBL3351750

SCHEMBL3351750

Cc1cccc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.46
BCHE P06276 6/20 0.46
CSNK1E P49674 1/20 0.43
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
SCN4A P35499 2/20 0.41
BACE1 P56817 1/20 0.40
DNM1 Q05193 1/20 0.38
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL3352254 0.91 BCHE (0.48) F2BCHECSNK1ESCN4ABACE1
SCHEMBL7617265 0.81 BCHE (0.55) BCHEPSMB1PSMB5PSMB2BACE1
SCHEMBL7617259 0.81 BCHE (0.55) BCHEPSMB1PSMB5PSMB2BACE1
SCHEMBL3349188 0.81 BCHE (0.47) F2BCHECSNK1EBACE1
SCHEMBL6894923 0.81 BCHE (0.47) F2BCHECSNK1EBACE1
SCHEMBL3353939 0.80 BCHE (0.61) F2BCHECSNK1EBACE1DNM1
SCHEMBL2605624 0.80 BCHE (0.61) F2BCHECSNK1EBACE1DNM1
SCHEMBL496172 0.80 BCHE (0.61) F2BCHECSNK1EBACE1DNM1
SCHEMBL7951036 0.80 BCHE (0.61) F2BCHECSNK1EBACE1DNM1
SCHEMBL3348531 0.80 BCHE (0.46) F2BCHECSNK1EBACE1SLC6A4

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-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-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 1807/4885BCHE 12/4885CSNK1E 2024/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT F2 2890/4885BCHE 8/4885CSNK1E 1817/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE F2 4578/4885BCHE 3/4885CSNK1E 3282/4885
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 986/4885BCHE 17/4885CSNK1E 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.