SCHEMBL2010776

SCHEMBL2010776

CN(C(=O)c1cccc2ccn(C)c12)[C@H](CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2012170 0.86 HCRTR2 (0.47) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL2012172 0.86 HCRTR2 (0.47) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL13138941 0.86 EPHX2 (0.48) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL2013395 0.82 HCRTR1 (0.53) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL2011495 0.82 HCRTR1 (0.53) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL2053851 0.82 HCRTR1 (0.53) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL2016308 0.82 HCRTR1 (0.53) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL2015759 0.82 EPHX2 (0.44) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL2011963 0.82 EPHX2 (0.44) HCRTR1HCRTR2EPHX2KMT2AALOX15
SCHEMBL13139078 0.82 EPHX2 (0.50) HCRTR1HCRTR2EPHX2KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO claimed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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 (1 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 HCRTR1 3230/4885HCRTR2 3029/4885EPHX2 1742/4885

“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.