SCHEMBL632790

SCHEMBL632790

COc1ccc2nccc(NC3CCN(CC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.43
SIGMAR1 Q99720 3/20 0.40
HTR1A P08908 4/20 0.39
MCHR1 Q99705 1/20 0.38
KCNQ1 P51787 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL632789 1.00 KCNH2 (0.43) KCNH2SIGMAR1HTR1AMCHR1KCNQ1
SCHEMBL633917 0.94 KCNH2 (0.40) KCNH2
SCHEMBL633655 0.94 KCNH2 (0.40) KCNH2
SCHEMBL632757 0.87 SIGMAR1 (0.37) KCNH2SIGMAR1MCHR1
SCHEMBL633729 0.87 SIGMAR1 (0.37) KCNH2SIGMAR1MCHR1
SCHEMBL1223298 0.87 DRD2 (0.42) KCNH2SIGMAR1HTR1A
SCHEMBL1223940 0.87 DRD2 (0.42) KCNH2SIGMAR1HTR1A
SCHEMBL1224494 0.85 HTR1A (0.40) KCNH2SIGMAR1HTR1A
SCHEMBL633720 0.85 KCNH2 (0.44) KCNH2
SCHEMBL633238 0.85 KCNH2 (0.44) KCNH2

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 6 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

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 31/4885SIGMAR1 28/4885HTR1A 2656/4885

“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.