SCHEMBL634126

SCHEMBL634126

COc1ccc2nccc(CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
FAAH O00519 1/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
GPR119 Q8TDV5 2/20 0.41

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
SCHEMBL634125 1.00 KCNH2 (0.44) KCNH2FAAHPIK3CDPIK3CAPIK3CB
SCHEMBL5520005 0.81 KCNH2 (0.53) KCNH2
SCHEMBL5655508 0.80 KCNH2 (0.49) KCNH2FAAHPIK3CDPIK3CAPIK3CB
SCHEMBL3960269 0.79 KCNH2 (0.41) KCNH2GPR119
SCHEMBL5509547 0.79 CYP2C9 (0.45) KCNH2PIK3CD
SCHEMBL1148038 0.79 KCNH2 (0.47) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1148040 0.79 KCNH2 (0.47) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3251889 0.78 KCNH2 (0.46) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3251893 0.78 KCNH2 (0.46) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL924133 0.77 GPR119 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGGPR119

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 KCNH2 31/4885FAAH 1515/4885PIK3CD 3587/4885

“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.