SCHEMBL2012170

SCHEMBL2012170

CN(C(=O)c1cccc2c1ccn2C)[C@H](CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.47
HCRTR1 O43613 2/20 0.47
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
ROCK1 Q13464 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2012172 1.00 HCRTR2 (0.47) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2010776 0.86 HCRTR1 (0.47) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL13138941 0.86 EPHX2 (0.48) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2011272 0.85 HCRTR1 (0.62) HCRTR2HCRTR1HDAC3HDAC1
SCHEMBL6919279 0.83 HCRTR1 (0.45) HCRTR2HCRTR1ROCK1HDAC3HDAC1
SCHEMBL2014608 0.83 EPHX2 (0.49) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2010959 0.83 EPHX2 (0.45) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2015188 0.83 EPHX2 (0.45) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2053851 0.82 HCRTR1 (0.53) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2016308 0.82 HCRTR1 (0.53) HCRTR2HCRTR1EPHX2KMT2AALOX15

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 HCRTR2 3029/4885HCRTR1 3230/4885EPHX2 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.