SCHEMBL3357197

SCHEMBL3357197

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PGGT1B P53609 1/20 0.49
BCHE P06276 4/20 0.49
AOC3 Q16853 2/20 0.46
F2 P00734 1/20 0.45
BACE1 P56817 3/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC16A3 O15427 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CSNK1E P49674 1/20 0.43

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
SCHEMBL4045124 1.00 FNTA (0.49) FNTAFNTBPGGT1BBCHEAOC3
SCHEMBL3348180 0.90 BACE1 (0.47) FNTAFNTBPGGT1BBCHEAOC3
SCHEMBL7951036 0.87 BCHE (0.61) BCHEF2BACE1ALDH1A1CYP1A2
SCHEMBL3353939 0.87 BCHE (0.61) BCHEF2BACE1ALDH1A1CYP1A2
SCHEMBL496172 0.87 BCHE (0.61) BCHEF2BACE1ALDH1A1CYP1A2
SCHEMBL2605624 0.87 BCHE (0.61) BCHEF2BACE1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL5225060 0.85 BCHE (0.60) BCHEF2BACE1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL497150 0.85 BCHE (0.60) BCHEF2BACE1ALDH1A1CYP1A2
SCHEMBL4041091 0.85 BCHE (0.51) BCHEF2BACE1CYP1A2CYP2D6
SCHEMBL13073581 0.85 BCHE (0.48) BCHEF2BACE1LMNACSNK1E

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
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-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 FNTA 1491/4885FNTB 1854/4885PGGT1B 1387/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT FNTA 964/4885FNTB 1744/4885PGGT1B 1392/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE FNTA 2071/4885FNTB 3889/4885PGGT1B 627/4885
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 FNTA 1908/4885FNTB 850/4885PGGT1B 1372/4885

“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.