SCHEMBL14993243

SCHEMBL14993243

COc1cnc2ccc(F)c(C3CO3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.39

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
SCHEMBL5298777 0.89 KCNH2 (0.46) KCNH2
SCHEMBL3274604 0.89 KCNH2 (0.46) KCNH2
SCHEMBL3274607 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5441610 0.84 KCNH2 (0.41) KCNH2
SCHEMBL14993065 0.81 MTNR1A (0.37) KCNH2
SCHEMBL2289083 0.78 KCNH2 (0.36) KCNH2
SCHEMBL2289073 0.78 KCNH2 (0.36) KCNH2
SCHEMBL5439110 0.78 KCNH2 (0.43) KCNH2
SCHEMBL5746176 0.78 KCNH2 (0.43) KCNH2
SCHEMBL2822572 0.78 KCNH2 (0.43) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029368-B2 3,7-disubstituted octahydro-2H-pyrido[4,3-E][1,3]oxazin-2-one antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-12 US disclosed
US-20140309218-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2014-10-16 US disclosed
EP-2785721-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2014-10-08 EP disclosed
WO-2013080156-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-06 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-20140309218-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS OXA1L, TOP1, OGFOD1 KCNH2 25/4885

“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.