SCHEMBL746723

SCHEMBL746723

COc1cccc(C2OC=CO2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.49
KDM4E B2RXH2 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
ACHE P22303 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 1/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
CYP19A1 P11511 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL767828 0.81 CYP3A4 (0.39) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL984346 0.80 TP53 (0.49) KDM4EGAAALDH1A1CYP3A4LMNA
SCHEMBL981631 0.80 ALDH1A1 (0.40) KDM4EHTR2AALDH1A1CYP3A4CYP2D6
SCHEMBL18063537 0.79 HTR2C (0.51) HTR2CKDM4EHTR2AHTR2BMEN1
SCHEMBL984529 0.78 KMT2A (0.46) KDM4EMEN1KMT2AALDH1A1CYP3A4
SCHEMBL746763 0.78 GID4 (0.43) HTR2CKDM4EHTR2AHTR2BMEN1
SCHEMBL3674338 0.77 RELA (0.59) KDM4ELMNACYP19A1RELA
SCHEMBL23676966 0.77 HTR2C (0.61) HTR2CKDM4EHTR2AHTR2BMEN1
SCHEMBL984461 0.76 TSHR (0.46) KMT2ACA1CA2CA7CA9
SCHEMBL2089794 0.75 CA1 (0.50) HTR2CKDM4ENPC1GAAACHE

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 8 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 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
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US disclosed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO 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 (2 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 HTR2C 187/4885KDM4E 1180/4885HTR2A 210/4885
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R HTR2C 170/4885KDM4E 2253/4885HTR2A 229/4885

“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.