SCHEMBL4039859

SCHEMBL4039859

OC(COc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)CN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CACNA1G O43497 1/20 0.47
CETP P11597 1/20 0.45
HSF1 Q00613 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL5965265 0.90 PKM (0.49) MAPK1
SCHEMBL4040185 0.90 PKM (0.49) MAPK1
SCHEMBL5901370 0.90 PKM (0.49) MAPK1
SCHEMBL4858692 0.83 TLR9 (0.56)
SCHEMBL5965236 0.80 LMNA (0.49) KCNH2NPC1RAB9ACACNA1GLMNA
SCHEMBL5901874 0.80 LMNA (0.49) KCNH2NPC1RAB9ACACNA1GLMNA
SCHEMBL5965173 0.80 CACNA1G (0.46) KCNH2CACNA1G
SCHEMBL5901495 0.80 CACNA1G (0.46) KCNH2CACNA1G
SCHEMBL7297907 0.79 KCNH2 (0.71) KCNH2CACNA1GLMNAMAPK1RECQL
SCHEMBL5965160 0.78 CACNA1G (0.43) KCNH2CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
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
EP-1567525-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-06-27 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 KCNH2 19/4885NPC1 2524/4885RAB9A 1508/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A KCNH2 10/4885NPC1 2349/4885RAB9A 1496/4885

“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.