SCHEMBL632760

SCHEMBL632760

COc1ccc2ncnc(OCC3CN(C[C@@H]4CN(c5ccc6c(c5)OCCO6)C(=O)O4)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.51
CLK1 P49759 1/20 0.39
GRM2 Q14416 2/20 0.39
KCNH2 Q12809 1/20 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
SCHEMBL632762 1.00 SIGMAR1 (0.51) SIGMAR1CLK1GRM2KCNH2
SCHEMBL1223081 0.86 SIGMAR1 (0.56) SIGMAR1
SCHEMBL1224425 0.86 SIGMAR1 (0.56) SIGMAR1
SCHEMBL1223086 0.86 SIGMAR1 (0.56) SIGMAR1
SCHEMBL590486 0.86 GRM2 (0.47) SIGMAR1CLK1GRM2KCNH2
SCHEMBL591827 0.86 GRM2 (0.47) SIGMAR1CLK1GRM2KCNH2
SCHEMBL590323 0.86 GRM2 (0.47) SIGMAR1CLK1GRM2KCNH2
SCHEMBL633911 0.86 SIGMAR1 (0.51) SIGMAR1KCNH2
SCHEMBL632974 0.86 SIGMAR1 (0.51) SIGMAR1KCNH2
SCHEMBL633017 0.86 SIGMAR1 (0.51) SIGMAR1KCNH2

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
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
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 SIGMAR1 28/4885CLK1 2956/4885GRM2 2543/4885

“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.