SCHEMBL4863449

SCHEMBL4863449

CCn1c2ccccc2c2cc(NC(=O)CCl)ccc21

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.79
KDM4E B2RXH2 6/20 0.79
LMNA P02545 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
NPSR1 Q6W5P4 1/20 0.74
NPY5R Q15761 6/20 0.73
ALDH1A1 P00352 1/20 0.70
RORC P51449 5/20 0.69
HPGD P15428 2/20 0.69

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
SCHEMBL14199692 0.89 MAPT (0.82) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL7722834 0.87 MAPT (0.81) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL7929907 0.87 MAPT (0.79) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL1593423 0.87 MAPT (0.79) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL3727171 0.86 NPY5R (0.64) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL4725254 0.86 MAPT (0.85) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL7722815 0.85 NPSR1 (1.00) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL4728842 0.85 NPY5R (0.83) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL4728393 0.85 KDM4E (0.83) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL1593514 0.85 KDM4E (0.83) MAPTKDM4ELMNASMN1; SMN2MEN1

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 MAPT 4833/4885KDM4E 2975/4885LMNA 2835/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MAPT 4829/4885KDM4E 2949/4885LMNA 2300/4885

“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.