SCHEMBL4858692

SCHEMBL4858692

OC(COc1ccc2nc(-c3ccccc3)oc2c1)CN1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.56
PKM P14618 1/20 0.49
TLR7 Q9NYK1 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNA7 P36544 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL4040185 0.92 PKM (0.49) TLR9PKMSMN1; SMN2POLBL3MBTL1
SCHEMBL5901370 0.92 PKM (0.49) TLR9PKMSMN1; SMN2POLBL3MBTL1
SCHEMBL5965265 0.92 PKM (0.49) TLR9PKMSMN1; SMN2POLBL3MBTL1
SCHEMBL4039859 0.83 KCNH2 (0.47)
SCHEMBL5901633 0.79 KDM4E (0.55) PKMSMN1; SMN2POLBL3MBTL1CHRNA7
SCHEMBL24323728 0.77 SMN1; SMN2 (0.71) SMN1; SMN2POLBL3MBTL1KDM4E
SCHEMBL6697306 0.77 SMN1; SMN2 (0.71) SMN1; SMN2POLBL3MBTL1KDM4E
SCHEMBL5901626 0.77 PKM (0.47) PKMSMN1; SMN2POLBL3MBTL1CHRNA7
SCHEMBL4033617 0.77 CYP3A4 (0.55)
SCHEMBL5878421 0.76 L3MBTL1 (0.77) PKMSMN1; SMN2POLBL3MBTL1KDM4E

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 8 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
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 TLR9 4866/4885PKM 358/4885TLR7 4765/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A TLR9 4870/4885PKM 341/4885TLR7 4783/4885

“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.