SCHEMBL633017

SCHEMBL633017

COc1ccc2ncnc(O[C@@H]3CCN(C[C@@H]4CN(c5ccc6c(c5)OCCO6)C(=O)O4)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.51
MCHR1 Q99705 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 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
SCHEMBL632974 1.00 SIGMAR1 (0.51) SIGMAR1MCHR1KCNH2PIK3CDPIK3CA
SCHEMBL632972 1.00 SIGMAR1 (0.51) SIGMAR1MCHR1KCNH2PIK3CDPIK3CA
SCHEMBL633911 1.00 SIGMAR1 (0.51) SIGMAR1MCHR1KCNH2PIK3CDPIK3CA
SCHEMBL633086 0.86 SIGMAR1 (0.39) SIGMAR1KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL633297 0.86 SIGMAR1 (0.39) SIGMAR1KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL632934 0.86 SIGMAR1 (0.39) SIGMAR1KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL632933 0.86 SIGMAR1 (0.39) SIGMAR1KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL632760 0.86 SIGMAR1 (0.51) SIGMAR1KCNH2
SCHEMBL632762 0.86 SIGMAR1 (0.51) SIGMAR1KCNH2
SCHEMBL1224425 0.84 SIGMAR1 (0.56) SIGMAR1

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 3 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 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 SIGMAR1 28/4885MCHR1 179/4885KCNH2 31/4885

“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.