SCHEMBL633085

SCHEMBL633085

COc1ccc2ncc(F)c(CNC3CN(CC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)C3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
SLC2A1 P11166 1/20 0.40
KCNQ1 P51787 1/20 0.40
CACNA1C Q13936 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
SIGMAR1 Q99720 3/20 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
SCHEMBL633042 1.00 KCNH2 (0.43) KCNH2SLC2A1KCNQ1CACNA1CDRD2
SCHEMBL633151 0.88 KCNH2 (0.54) KCNH2
SCHEMBL633150 0.88 KCNH2 (0.54) KCNH2
SCHEMBL633039 0.87 KCNH2 (0.53) KCNH2KCNQ1CACNA1CDRD2DRD4
SCHEMBL633189 0.87 KCNH2 (0.53) KCNH2KCNQ1CACNA1CDRD2DRD4
SCHEMBL3428079 0.87 KCNH2 (0.43) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL590313 0.86 GRM2 (0.39) KCNH2DRD2DRD4
SCHEMBL592146 0.86 GRM2 (0.39) KCNH2DRD2DRD4
SCHEMBL590312 0.86 GRM2 (0.39) KCNH2DRD2DRD4
SCHEMBL591513 0.85 KCNH2 (0.38) KCNH2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US claimed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP claimed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US claimed
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 KCNH2 31/4885SLC2A1 4213/4885KCNQ1 568/4885

“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.