SCHEMBL749304

SCHEMBL749304

COc1cccc(OC)c1C1OC(C)(C)C(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.61
HCRTR2 O43614 3/20 0.61
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 5/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 2/20 0.47
MCHR1 Q99705 2/20 0.47
MAPT P10636 3/20 0.46
GLA P06280 1/20 0.46
CMA1 P23946 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 3/20 0.44
PDE5A O76074 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL750223 0.82 HCRTR1 (0.58) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL751829 0.82 HCRTR2 (0.53) HCRTR1HCRTR2CYP3A4
SCHEMBL750895 0.81 HCRTR2 (0.44) HCRTR1HCRTR2CYP3A4
SCHEMBL753106 0.80 HCRTR2 (0.56) HCRTR1HCRTR2
SCHEMBL750951 0.78 HCRTR1 (0.56) HCRTR1HCRTR2CYP3A4
SCHEMBL750321 0.78 HCRTR1 (0.58) HCRTR1HCRTR2CYP3A4
SCHEMBL750476 0.77 HCRTR1 (0.61) HCRTR1HCRTR2CYP3A4
SCHEMBL752485 0.77 HCRTR1 (0.58) HCRTR1HCRTR2CYP3A4
SCHEMBL747904 0.77 HCRTR1 (0.66) HCRTR1HCRTR2TDP1LMNAALDH1A1
SCHEMBL752839 0.77 HCRTR1 (0.61) HCRTR1HCRTR2CYP3A4

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 HCRTR1 2/4885HCRTR2 1/4885TDP1 4682/4885

“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.