SCHEMBL13316010

SCHEMBL13316010

CC(C)(C)Cc1ccnc(C2(N)CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ESR1 P03372 1/20 0.32
NR3C2 P08235 1/20 0.32
NUDT1 P36639 1/20 0.31

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
SCHEMBL8125317 0.81 ESR1 (0.32) LOXL2LOXESR1
SCHEMBL13386447 0.80 LOXL2 (0.48) LOXL2LOXNOS3NOS1NOS2
SCHEMBL8402777 0.79 NOS3 (0.32) NOS3NOS1NOS2ESR1
SCHEMBL8125323 0.77
SCHEMBL2397905 0.77
SCHEMBL8402528 0.76 SLC22A1 (0.31)
SCHEMBL2532468 0.75 BACE1 (0.35) NOS3NOS2
SCHEMBL27818496 0.73 CYP1A2 (0.40) LOXL2LOXNR3C2
SCHEMBL3654886 0.72 CXCR4 (0.45)
SCHEMBL10087561 0.72 NOS3 (0.62) LOXL2LOXNOS3NOS1NOS2

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
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 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 (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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP LOXL2 2485/4885LOX 1098/4885NOS3 4197/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP LOXL2 2485/4885LOX 1098/4885NOS3 4197/4885

“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.