SCHEMBL3353771

SCHEMBL3353771

CCCN(CCC)[C@H](CCC(N)=O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
FDPS P14324 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NOD1 Q9Y239 2/20 0.33
SOAT1 P35610 2/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CNR1 P21554 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL6464164 1.00 KMT2A (0.36) KMT2AALOX15BLMPMP22FDPS
SCHEMBL6464153 1.00 KMT2A (0.36) KMT2AALOX15BLMPMP22FDPS
Trifluoroacetic Acid SCHEMBL3350404 0.89 CA12 (0.34) KMT2AALOX15BLMPMP22CA1
SCHEMBL28921611 0.87 KMT2A (0.44) KMT2AALOX15BLMPMP22FDPS
SCHEMBL11785410 0.87 GABRP (0.41) PMP22FDPSCA1NOD1CYP1A2
SCHEMBL27631473 0.87 KMT2A (0.44) KMT2AALOX15BLMPMP22FDPS
SCHEMBL11785360 0.74 FDPS (0.36) FDPSCA1CA2NOD1
SCHEMBL8633798 0.74 KMT2A (0.42) KMT2AALOX15BLMPMP22NOD1
SCHEMBL11659223 0.74 KMT2A (0.42) KMT2AALOX15BLMPMP22NOD1
SCHEMBL10828944 0.74 KMT2A (0.42) KMT2AALOX15BLMPMP22NOD1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
EP-1395551-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
WO-2002098849-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES ELAN PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1395551-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP disclosed
WO-2002098849-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES ELAN PHARMACEUTICALS, INC. (US) 2002-12-12 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 (2 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-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 KMT2A 1229/4885ALOX15 248/4885BLM 1095/4885
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 KMT2A 4650/4885ALOX15 3860/4885BLM 3244/4885

“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.