SCHEMBL1711963

SCHEMBL1711963

COc1ccc2cccc(C(CO)NC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.46
MTNR1B P49286 12/20 0.46
CTSA P10619 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL1712314 1.00 MTNR1A (0.46) MTNR1AMTNR1BCTSAALDH1A1NQO2
SCHEMBL1712016 0.86 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1NQO2MAPT
SCHEMBL2295730 0.86 MTNR1A (0.42) MTNR1AMTNR1BCTSAALDH1A1MAPT
SCHEMBL1712708 0.84 KDM4E (0.39) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL1711908 0.84 KDM4E (0.39) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL2293211 0.83 KDM4E (0.39) ALDH1A1KDM4E
SCHEMBL1722702 0.83 KDM4E (0.39) ALDH1A1KDM4E
SCHEMBL2293218 0.83 KDM4E (0.39) ALDH1A1KDM4E
SCHEMBL1712054 0.81 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL1712057 0.81 PTGS2 (0.38) MTNR1AMTNR1BALDH1A1KDM4E

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
US-9822114-B2 Tricyclic oxazolidinone antibiotic compounds IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-21 US disclosed
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-18 US disclosed
US-9346804-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-24 US disclosed
EP-2344495-B1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-22 US disclosed
US-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 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 (3 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-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 MTNR1A 987/4885MTNR1B 670/4885CTSA 4146/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 MTNR1A 1089/4885MTNR1B 860/4885CTSA 4312/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 MTNR1A 1119/4885MTNR1B 897/4885CTSA 4016/4885

“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.