SCHEMBL541746

SCHEMBL541746

O=C1O[C@@H](CO)CN1c1ccc(OCC2CCNCC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.53
MAOA P21397 5/20 0.48
MAOB P27338 3/20 0.47
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP3A4 P08684 1/20 0.44
F10 P00742 1/20 0.42
MELK Q14680 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
SCHEMBL541747 1.00 CALML3 (0.53) CALML3MAOAMAOBTLR9TLR8
SCHEMBL3818352 0.95 CALML3 (0.51) CALML3MAOAMAOBTLR9TLR8
SCHEMBL542051 0.95 CALML3 (0.51) CALML3MAOAMAOBTLR9TLR8
SCHEMBL10033721 0.87 MAOA (0.57) CALML3MAOAMAOBF10
SCHEMBL10033753 0.84 MAOA (0.54) CALML3MAOAMAOBF10
SCHEMBL542046 0.83 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL542047 0.83 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
Hydrochloric Acid SCHEMBL17769285 0.82 CALML3 (0.52) CALML3MAOAMAOBCYP2C19CYP2C9
Hydrochloric Acid SCHEMBL17769284 0.82 CALML3 (0.52) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL10033726 0.82 MAOA (0.56) CALML3MAOAMAOBF10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124623-B2 5-hydroxymethyl-oxazolidin-2-one-derivatives and their uses as antibacterials ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-28 US disclosed
EP-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP disclosed
US-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-01 US disclosed
EP-2086968-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-08-12 EP disclosed
WO-2008056335-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-15 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-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS OGFOD1, OXGR1, ODC1 CALML3 3066/4885MAOA 447/4885MAOB 846/4885

“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.