SCHEMBL752371

SCHEMBL752371

CCOc1ccccc1C1OCC(=O)N1Cc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.41
HCRTR1 O43613 7/20 0.40
MDM2 Q00987 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
CETP P11597 2/20 0.34
RET P07949 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL752901 0.93 HCRTR2 (0.41) HCRTR2HCRTR1MDM2L3MBTL1LMNA
SCHEMBL750958 0.89 HCRTR2 (0.40) HCRTR2HCRTR1MDM2L3MBTL1LMNA
SCHEMBL750883 0.88 HCRTR2 (0.41) HCRTR2HCRTR1MDM2L3MBTL1LMNA
SCHEMBL754100 0.87 HCRTR2 (0.45) HCRTR2HCRTR1MDM2NPSR1GRIN1
SCHEMBL752716 0.86 HCRTR2 (0.47) HCRTR2HCRTR1LMNAGRIN1GRIN2B
SCHEMBL750632 0.85 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL753389 0.85 HCRTR2 (0.45) HCRTR2HCRTR1L3MBTL1LMNAGAA
SCHEMBL751839 0.84 HCRTR2 (0.41) HCRTR2HCRTR1GAAMAPTALDH1A1
SCHEMBL751151 0.83 HCRTR2 (0.49) HCRTR2HCRTR1
SCHEMBL15103648 0.82 HCRTR2 (0.40) HCRTR2HCRTR1L3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP claimed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US claimed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US claimed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP claimed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO claimed
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 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 (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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R HCRTR2 1/4885HCRTR1 2/4885MDM2 4050/4885

“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.