SCHEMBL1711943

SCHEMBL1711943

COc1ccc2ccc(F)c(C(CO)CCNC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.42
MTNR1B P49286 9/20 0.42
PTGS2 P35354 2/20 0.36
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 2/20 0.34
KDM4E B2RXH2 2/20 0.34
BCHE P06276 1/20 0.34
NQO2 P16083 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 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
SCHEMBL1711953 0.91 MTNR1A (0.39) MTNR1AMTNR1BPTGS2SCN9AHTR2C
SCHEMBL2292775 0.87 SCN9A (0.36) SCN9AMEN1GAAKMT2AKDM4E
SCHEMBL15707804 0.87 KCNH2 (0.41) MTNR1AMTNR1BSCN9AKDM4ETDP1
SCHEMBL1712060 0.81 MTNR1A (0.40) MTNR1AMTNR1BPTGS2SCN9AHTR2C
SCHEMBL1712057 0.81 PTGS2 (0.38) MTNR1AMTNR1BPTGS2SCN9AKDM4E
SCHEMBL4797081 0.80 CKS1B (0.37) MTNR1AMTNR1BHTR2C
SCHEMBL1712486 0.80 MTNR1A (0.39) MTNR1AMTNR1BPTGS2SCN9AHTR2C
SCHEMBL29845387 0.79 MTNR1A (0.52) MTNR1AMTNR1BPTGS2NQO2
SCHEMBL3214187 0.79 PTGS2 (0.37) MTNR1AMTNR1BPTGS2HTR2C
SCHEMBL1711854 0.78 MTNR1A (0.35) MTNR1AMTNR1BPTGS2HTR2C

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 670/4885PTGS2 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.