SCHEMBL754685

SCHEMBL754685

CCOc1ccccc1C1OCC(=O)N1Cc1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CMA1 P23946 1/20 0.45
HCRTR2 O43614 11/20 0.45
HCRTR1 O43613 10/20 0.45
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL750031 0.89 HCRTR2 (0.51) HSD17B10HCRTR2HCRTR1POLBKMT2A
SCHEMBL753395 0.88 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL752329 0.88 HCRTR2 (0.45) HCRTR2HCRTR1POLBKMT2AMEN1
SCHEMBL753389 0.84 HCRTR2 (0.45) HCRTR2HCRTR1
SCHEMBL751377 0.82 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL752250 0.82 HCRTR2 (0.49) HCRTR2HCRTR1KMT2AMEN1TSHR
SCHEMBL752226 0.82 HCRTR2 (0.53) HCRTR2HCRTR1KMT2AMEN1
SCHEMBL751790 0.82 HCRTR2 (0.64) GRIN1GRIN2BHCRTR2HCRTR1
SCHEMBL750040 0.81 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL753005 0.81 HCRTR2 (0.48) HCRTR2HCRTR1KMT2AMEN1

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 GRIN1 285/4885GRIN2B 218/4885HSD17B10 544/4885

“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.