SCHEMBL751839

SCHEMBL751839

CCOc1ccccc1C1OCC(=O)N1Cc1cc(C(F)(F)F)cc(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.41
HCRTR1 O43613 11/20 0.40
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SCN9A Q15858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR1I2 O75469 1/20 0.34
CETP P11597 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
LDHA P00338 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL750883 0.89 HCRTR2 (0.41) HCRTR2HCRTR1GAAMAPTSCN9A
SCHEMBL752901 0.86 HCRTR2 (0.41) HCRTR2HCRTR1KDM4EALDH1A1GAA
SCHEMBL752371 0.84 HCRTR2 (0.41) HCRTR2HCRTR1KDM4EALDH1A1GAA
SCHEMBL750958 0.84 HCRTR2 (0.40) HCRTR2HCRTR1GAAMAPTCETP
SCHEMBL750632 0.83 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL753545 0.83 HCRTR2 (0.43) HCRTR2HCRTR1NR1I2CETP
SCHEMBL753211 0.82 HCRTR2 (0.44) HCRTR2HCRTR1ALDH1A1MAPTTDP1
SCHEMBL750839 0.81 HCRTR2 (0.48) HCRTR2HCRTR1
SCHEMBL754100 0.81 HCRTR2 (0.45) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL753389 0.81 HCRTR2 (0.45) HCRTR2HCRTR1KDM4EALDH1A1GAA

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 2/4885KDM4E 1180/4885

“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.