SCHEMBL633545

SCHEMBL633545

N#Cc1ccc2nccc(NC3CN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
GRM2 Q14416 3/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CDK8 P49336 6/20 0.32
CCNC P24863 5/20 0.32
ENPP2 Q13822 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
CDK19 Q9BWU1 2/20 0.31
PDE5A O76074 1/20 0.31
MAP4K2 Q12851 1/20 0.31
HASPIN Q8TF76 1/20 0.31

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
SCHEMBL633546 1.00 KCNH2 (0.35) KCNH2GRM2MAOAMAOBCDK8
SCHEMBL634111 0.89 SIGMAR1 (0.36) KCNH2MAOAMAOBENPP2SIGMAR1
SCHEMBL633769 0.89 SIGMAR1 (0.36) KCNH2MAOAMAOBENPP2SIGMAR1
SCHEMBL632721 0.87 KCNH2 (0.43) KCNH2SIGMAR1
SCHEMBL632722 0.87 KCNH2 (0.43) KCNH2SIGMAR1
SCHEMBL1224367 0.83 CDK8 (0.37) KCNH2GRM2MAOAMAOBCDK8
SCHEMBL1224369 0.83 CDK8 (0.37) KCNH2GRM2MAOAMAOBCDK8
SCHEMBL632610 0.82 KCNH2 (0.36) KCNH2SIGMAR1
SCHEMBL632609 0.82 KCNH2 (0.36) KCNH2SIGMAR1
SCHEMBL1222888 0.81 CDK8 (0.39) KCNH2GRM2MAOAMAOBCDK8

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 8 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 claimed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP claimed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US claimed
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 KCNH2 31/4885GRM2 2543/4885MAOA 1081/4885

“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.