SCHEMBL3353747

SCHEMBL3353747

CCCN(CCC)C(=O)c1cc(N)cc(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MLYCD O95822 1/20 0.41
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
SLC7A5 Q01650 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HSD17B10 Q99714 2/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL3349246 0.88 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3854478 0.87 LMNA (0.42) KDM4ELMNAALDH1A1HPGDATAD2
SCHEMBL23532656 0.86 KDM4E (0.46) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3349941 0.86 KDM4E (0.46) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3889495 0.86 KDM4E (0.46) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3347320 0.86 NOTUM (0.49) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3351101 0.85 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL30029282 0.85 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL7110187 0.83 MLYCD (0.44) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL13333687 0.82 KDM4E (0.43) KDM4ELMNAALDH1A1MLYCDHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
EP-1503980-A2 SUBSTITUTED HYDROXYETHYLAMINES Elan Pharmaceuticals, Inc. (US) 2005-02-09 EP disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP disclosed
WO-2003072535-A2 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US disclosed
WO-2002002520-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed
WO-2002002518-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO 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 (6 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 KDM4E 2432/4885LMNA 2308/4885ALDH1A1 391/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT KDM4E 1983/4885LMNA 2675/4885ALDH1A1 524/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 KDM4E 4309/4885LMNA 426/4885ALDH1A1 527/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 KDM4E 1890/4885LMNA 1480/4885ALDH1A1 4018/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE KDM4E 242/4885LMNA 1652/4885ALDH1A1 589/4885
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 KDM4E 4082/4885LMNA 479/4885ALDH1A1 2133/4885

“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.