SCHEMBL3354459

SCHEMBL3354459

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.47
PLA2G1B P04054 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
F2 P00734 1/20 0.44
FPR2 P25090 1/20 0.44
CETP P11597 1/20 0.42
BACE1 P56817 2/20 0.42
CTSD P07339 1/20 0.42
KDM1A O60341 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
GRIN2B Q13224 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2C P28335 1/20 0.41
ACHE P22303 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL165513 0.88 BACE1 (0.53) BCHECETPBACE1CTSD
SCHEMBL2605624 0.84 BCHE (0.61) BCHEF2BACE1OPRD1OPRK1
SCHEMBL496172 0.84 BCHE (0.61) BCHEF2BACE1OPRD1OPRK1
SCHEMBL7951036 0.84 BCHE (0.61) BCHEF2BACE1OPRD1OPRK1
SCHEMBL3353939 0.84 BCHE (0.61) BCHEF2BACE1OPRD1OPRK1
SCHEMBL3353556 0.84 BCHE (0.50) BCHEMAPTSMN1; SMN2F2FPR2
SCHEMBL3350556 0.84 ANPEP (0.53) BCHESMN1; SMN2F2OPRD1OPRK1
Hydrochloric Acid SCHEMBL5225060 0.83 BCHE (0.60) BCHEF2BACE1OPRD1OPRK1
Hydrochloric Acid SCHEMBL497150 0.83 BCHE (0.60) BCHEF2BACE1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5219618 0.82 ANPEP (0.52) BCHESMN1; SMN2F2OPRD1OPRK1

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 8 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 BCHE 12/4885PLA2G1B 1693/4885MAPT 6/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BCHE 8/4885PLA2G1B 1673/4885MAPT 6/4885
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 17/4885PLA2G1B 2210/4885MAPT 159/4885

“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.