SCHEMBL633218

SCHEMBL633218

COc1ccc2nccc(OC3CN(C(=O)OC(C)(C)C)C3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.51
PIK3CA P42336 5/20 0.51
PIK3CB P42338 4/20 0.51
PIK3CG P48736 4/20 0.51
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNG1 Q06432 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42

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
SCHEMBL5655508 0.80 KCNH2 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGTBK1
SCHEMBL633007 0.79 KCNH2 (0.50) PIK3CDPIK3CAMAP4K4CYP8B1TBK1
SCHEMBL10078704 0.78 CYP8B1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL20064508 0.75 HCRTR1 (0.46) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL924134 0.75 GPR119 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL924135 0.75 GPR119 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL924133 0.75 GPR119 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL28638431 0.74 GPR119 (0.48) PIK3CDPIK3CACACNB4CACNA1ACACNA1G
SCHEMBL31470957 0.74 GPR119 (0.48) PIK3CDPIK3CACACNB4CACNA1ACACNA1G
SCHEMBL1224264 0.74 MAP4K4 (0.42) MAP4K4CYP8B1TBK1

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.