SCHEMBL4866196

SCHEMBL4866196

COc1cccc(OCC(O)CN2CCNCC2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.72
MAPT P10636 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.66
ACE2 Q9BYF1 1/20 0.65
MAPK1 P28482 3/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
GAA P10253 2/20 0.62
CACNA1G O43497 1/20 0.58
TSHR P16473 1/20 0.58
PRMT5 O14744 1/20 0.57
WDR77 Q9BQA1 1/20 0.57

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
SCHEMBL24322624 0.87 L3MBTL1 (0.72) TP53L3MBTL1MAPTSMN1; SMN2ACE2
SCHEMBL4864531 0.87 KDM4E (0.74) L3MBTL1MAPTKDM4EMAPK1MEN1
SCHEMBL5878421 0.84 L3MBTL1 (0.77) L3MBTL1SMN1; SMN2KDM4EACE2MAPK1
SCHEMBL24322808 0.84 L3MBTL1 (0.77) L3MBTL1SMN1; SMN2KDM4EACE2MAPK1
SCHEMBL4863792 0.82 POLB (0.55) TP53L3MBTL1MAPTSMN1; SMN2KDM4E
Dimethylamine SCHEMBL7279750 0.82 L3MBTL1 (0.69) L3MBTL1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL31094186 0.81 KDM4E (0.56) TP53L3MBTL1MAPTKDM4EMAPK1
SCHEMBL19912759 0.81 CYP2D6 (0.64) GAA
SCHEMBL19912757 0.81 CYP2D6 (0.64) GAA
SCHEMBL19912755 0.81 CYP2D6 (0.64) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A TP53 3053/4885L3MBTL1 809/4885MAPT 4833/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A TP53 2774/4885L3MBTL1 1085/4885MAPT 4829/4885

“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.