SCHEMBL752716

SCHEMBL752716

CCOc1ccccc1C1OCC(=O)N1Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.47
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
HCRTR1 O43613 5/20 0.43
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL754100 0.88 HCRTR2 (0.45) HCRTR2GRIN1GRIN2BHCRTR1TP53
SCHEMBL755460 0.88 HCRTR2 (0.43) HCRTR2HCRTR1THRBSMN1; SMN2KMT2A
SCHEMBL753211 0.87 HCRTR2 (0.44) HCRTR2HCRTR1THRBSMN1; SMN2KMT2A
SCHEMBL752901 0.86 HCRTR2 (0.41) HCRTR2GRIN1GRIN2BHCRTR1SMN1; SMN2
SCHEMBL752371 0.86 HCRTR2 (0.41) HCRTR2GRIN1GRIN2BHCRTR1SMN1; SMN2
SCHEMBL751790 0.85 HCRTR2 (0.64) HCRTR2GRIN1GRIN2BHCRTR1SMN1; SMN2
SCHEMBL751377 0.84 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL751479 0.83 HCRTR2 (0.41) HCRTR2HCRTR1ALDH1A1KDM4E
SCHEMBL751480 0.83 HCRTR2 (0.46) HCRTR2HCRTR1SMN1; SMN2ALDH1A1HTR2A
SCHEMBL750040 0.82 HCRTR2 (0.50) HCRTR2HCRTR1

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 1/4885GRIN1 285/4885GRIN2B 218/4885

“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.