SCHEMBL633984

SCHEMBL633984

COc1ccc2nccc(NC3CCN(CC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
SIGMAR1 Q99720 12/20 0.42
KCNH2 Q12809 3/20 0.42
CCR8 P51685 2/20 0.40

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
SCHEMBL633983 1.00 MCHR1 (0.49) MCHR1SIGMAR1KCNH2CCR8
SCHEMBL632721 0.94 KCNH2 (0.43) MCHR1SIGMAR1KCNH2
SCHEMBL632722 0.94 KCNH2 (0.43) MCHR1SIGMAR1KCNH2
SCHEMBL632757 0.88 SIGMAR1 (0.37) MCHR1SIGMAR1KCNH2CCR8
SCHEMBL633729 0.88 SIGMAR1 (0.37) MCHR1SIGMAR1KCNH2CCR8
SCHEMBL633979 0.85 SIGMAR1 (0.42) SIGMAR1
SCHEMBL1224325 0.85 SIGMAR1 (0.51) SIGMAR1
SCHEMBL632598 0.85 SIGMAR1 (0.42) SIGMAR1
SCHEMBL1224324 0.85 SIGMAR1 (0.51) SIGMAR1
SCHEMBL1224202 0.83 SIGMAR1 (0.43) SIGMAR1

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 5 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
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 MCHR1 179/4885SIGMAR1 28/4885KCNH2 31/4885

“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.