SCHEMBL3352288

SCHEMBL3352288

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.60
POLB P06746 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
DNM1 Q05193 1/20 0.50
BCHE P06276 3/20 0.47
SPPL2A Q8TCT8 1/20 0.47
LMNA P02545 1/20 0.44
F2 P00734 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PNMT P11086 1/20 0.41
CSNK1E P49674 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 4/20 0.41
SLC6A11 P48066 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
SCHEMBL6890569 1.00 PLA2G1B (0.60) PLA2G1BPOLBATG4BDNM1BCHE
Hydrochloric Acid SCHEMBL5215664 0.86 SIGMAR1 (0.48) PLA2G1BPOLBATG4BSPPL2AF2
SCHEMBL6892334 0.85 LMNA (0.61) DNM1BCHELMNAF2PNMT
SCHEMBL3350317 0.85 LMNA (0.61) DNM1BCHELMNAF2PNMT
SCHEMBL3351836 0.85 BCHE (0.53) DNM1BCHELMNAOPRD1OPRK1
SCHEMBL6894816 0.85 BCHE (0.53) DNM1BCHELMNAOPRD1OPRK1
SCHEMBL3353939 0.84 BCHE (0.61) DNM1BCHELMNAF2OPRD1
SCHEMBL2605624 0.84 BCHE (0.61) DNM1BCHELMNAF2OPRD1
SCHEMBL496172 0.84 BCHE (0.61) DNM1BCHELMNAF2OPRD1
SCHEMBL7951036 0.84 BCHE (0.61) DNM1BCHELMNAF2OPRD1

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 PLA2G1B 1693/4885POLB 2558/4885ATG4B 3551/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT PLA2G1B 1673/4885POLB 2547/4885ATG4B 2401/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE PLA2G1B 3088/4885POLB 1495/4885ATG4B 2710/4885
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 PLA2G1B 2210/4885POLB 2249/4885ATG4B 1832/4885

“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.