SCHEMBL632999

SCHEMBL632999

COc1ccc2ncnc(OCC3CN(C(=O)OC(C)(C)C)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.51
PIK3CA P42336 4/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
MTNR1B P49286 5/20 0.48
MTNR1A P48039 3/20 0.46
CHEK2 O96017 1/20 0.42
MAPK7 Q13164 1/20 0.41
SLC2A1 P11166 1/20 0.41
ENPP1 P22413 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL18255970 0.82 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL18255972 0.82 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL18255974 0.82 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL632811 0.80 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL632812 0.80 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL634756 0.80 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL633987 0.80 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL5511774 0.80 MTNR1B (0.47) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL5511776 0.80 MTNR1B (0.47) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B
SCHEMBL5511779 0.80 MTNR1B (0.47) PIK3CDPIK3CAPIK3CBPIK3CGMTNR1B

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-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 PIK3CD 3587/4885PIK3CA 3742/4885PIK3CB 4545/4885

“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.