SCHEMBL633992

SCHEMBL633992

O=C1COc2ccc(N3C[C@@H](CN4CC(Nc5ccnc6ccc(F)cc56)C4)OC3=O)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.41
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HTR1A P08908 7/20 0.38
NR3C1 P04150 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR2 Q969V1 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL633993 1.00 NR3C2 (0.41) NR3C2MAPTSIGMAR1HTR1ANR3C1
SCHEMBL633981 0.89 KCNH2 (0.45) SIGMAR1HTR1AKCNH2MCHR1
SCHEMBL632837 0.89 KCNH2 (0.45) SIGMAR1HTR1AKCNH2MCHR1
SCHEMBL633769 0.86 SIGMAR1 (0.36) SIGMAR1KCNH2
SCHEMBL634111 0.86 SIGMAR1 (0.36) SIGMAR1KCNH2
SCHEMBL633917 0.83 KCNH2 (0.40) KCNH2
SCHEMBL633655 0.83 KCNH2 (0.40) KCNH2
SCHEMBL633189 0.79 KCNH2 (0.53) SIGMAR1KCNH2
SCHEMBL633039 0.79 KCNH2 (0.53) SIGMAR1KCNH2
SCHEMBL634054 0.78 MCHR1 (0.42) SIGMAR1KCNH2MCHR1

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 7 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
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US claimed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP claimed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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

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 NR3C2 351/4885MAPT 4585/4885SIGMAR1 28/4885

“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.