SCHEMBL1712486

SCHEMBL1712486

COC(=O)C(CNC(=O)OC(C)(C)C)c1c(F)ccc2ccc(OC)nc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.39
MTNR1B P49286 11/20 0.39
PTGS2 P35354 2/20 0.37
SCN9A Q15858 1/20 0.35
SYK P43405 1/20 0.35
SERPINE1 P05121 1/20 0.35
HTR2C P28335 3/20 0.34
PCSK9 Q8NBP7 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1712060 0.87 MTNR1A (0.40) MTNR1AMTNR1BPTGS2SCN9ASYK
SCHEMBL1711953 0.86 MTNR1A (0.39) MTNR1AMTNR1BPTGS2SCN9ASYK
SCHEMBL1711951 0.82 PTGS2 (0.37) MTNR1AMTNR1BPTGS2
SCHEMBL2287233 0.81 SCN9A (0.34) SCN9ASYKSERPINE1PCSK9AAK1
SCHEMBL3154917 0.80 ACACB (0.38)
SCHEMBL3149200 0.80 ACACB (0.38)
SCHEMBL1711856 0.80 MTNR1A (0.41) MTNR1AMTNR1BPTGS2HTR2C
SCHEMBL1722764 0.80 KCNH2 (0.45) SCN9AAAK1
SCHEMBL1711943 0.80 MTNR1A (0.42) MTNR1AMTNR1BPTGS2SCN9AHTR2C
SCHEMBL16333231 0.79 PTGS2 (0.35) MTNR1AMTNR1BPTGS2AAK1HSD17B10

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 14 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-8466168-B2 Tricyclic alkylaminomethyloxazolidinone derivatives Actellon Pharmaceuticals Ltd. (CH) 2013-06-18 US disclosed
EP-2321307-B1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 EP 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
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. 2011-06-09 US disclosed
EP-2321307-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-05-18 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO disclosed
WO-2010015985-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-11 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 (4 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-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES PYM1, Q6ZSR9, O60361 MTNR1A 438/4885MTNR1B 431/4885PTGS2 2436/4885
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 MTNR1A 987/4885MTNR1B 670/4885PTGS2 4023/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 MTNR1A 1089/4885MTNR1B 860/4885PTGS2 3735/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 MTNR1A 1119/4885MTNR1B 897/4885PTGS2 4066/4885

“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.