SCHEMBL633958

SCHEMBL633958

COc1ccc2nccc(NC(=O)C3CNC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.54
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SLC2A1 P11166 2/20 0.38
AURKB Q96GD4 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL633007 0.79 KCNH2 (0.50) KCNH2ALDH1A1HTT
SCHEMBL3886623 0.79 KCNH2 (0.50) KCNH2CNR1CNR2ALDH1A1HTT
SCHEMBL4503053 0.78 KCNH2 (0.47) KCNH2CNR1CNR2SLC2A1
SCHEMBL5636821 0.78 KCNH2 (0.57) KCNH2SLC2A1
SCHEMBL5749909 0.76 KCNH2 (0.57) KCNH2CNR1CNR2CDK9
SCHEMBL5749905 0.76 KCNH2 (0.49) KCNH2CNR1CNR2SLC2A1
SCHEMBL632652 0.76 KCNH2 (0.39) KCNH2CNR1CNR2
SCHEMBL6214270 0.76 KCNH2 (0.51) KCNH2
SCHEMBL591768 0.76 KDM4E (0.51) KCNH2ALDH1A1HTT
SCHEMBL5750027 0.76 KCNH2 (0.48) KCNH2CNR1CNR2SLC2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 31/4885CNR1 205/4885CNR2 564/4885

“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.