SCHEMBL3347762

SCHEMBL3347762

CCCC(CCC)(CCC(N)=O)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.37
SOAT1 P35610 2/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CTSD P07339 1/20 0.30

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
Hydrochloric Acid SCHEMBL27578327 0.98 FDPS (0.35) FDPSSOAT1MEN1FAAHTP53
Valdipromide SCHEMBL2110001 0.88 LMNA (0.43) FDPSMEN1CYP1A2CYP3A4KMT2A
SCHEMBL10926903 0.84 KMT2A (0.36) FDPSSOAT1MEN1FAAHTP53
SCHEMBL2294520 0.84 MEN1 (0.34) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL28969013 0.84 SOAT1 (0.48) FDPSSOAT1MEN1FAAHTP53
Valdipromide SCHEMBL29177163 0.81 FDPS (0.39) FDPSLMNAHSD17B10ALDH1A1
SCHEMBL7760144 0.80 SOAT1 (0.44) FDPSSOAT1MEN1FAAHTP53
SCHEMBL9751890 0.79 FDPS (0.40) FDPSSOAT1MEN1FAAHTP53
SCHEMBL3351984 0.79 FDPS (0.38) FDPSLMNAHSD17B10
SCHEMBL28386822 0.79 LMNA (0.38) FDPSLMNAHSD17B10

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed
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
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
JP-57134452-A None JP disclosed
JP-61001651-A None JP disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS GAILUNAS ANDREA 2010-02-25 US disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. 2006-08-31 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
JP-S611651-A N-ACYL ACIDIC AMINO ACID DIAMIDE COMPOUND, ITS PREPARATION, AND ANTIULCER AGENT CONTAINING SAME TOYAMA CHEM CO LTD 1986-01-07 JP disclosed
JP-S57134452-A N-ACYL ACIDIC AMINO ACID DIAMIDE, ITS PREPARATION, AND ANTIULCER AGENT CONTAINING THE SAME TOYAMA CHEM CO LTD 1982-08-19 JP 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 (5 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-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds BACE1, APP, BACE2 FDPS 1741/4885SOAT1 1365/4885MEN1 1936/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 FDPS 1586/4885SOAT1 3540/4885MEN1 2250/4885
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS BACE1, APP, BACE2 FDPS 1741/4885SOAT1 1365/4885MEN1 1936/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE FDPS 2363/4885SOAT1 1492/4885MEN1 815/4885
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 FDPS 1473/4885SOAT1 3819/4885MEN1 1613/4885

“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.