SCHEMBL632734

SCHEMBL632734

COc1ccc2nccc(C=C[C@H]3CCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
KCNH2 Q12809 1/20 0.33

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
SCHEMBL632713 1.00 CCR8 (0.35) CCR8SIGMAR1KCNH2
SCHEMBL634115 1.00 CCR8 (0.35) CCR8SIGMAR1KCNH2
SCHEMBL634114 1.00 CCR8 (0.35) CCR8SIGMAR1KCNH2
SCHEMBL632715 1.00 CCR8 (0.35) CCR8SIGMAR1KCNH2
SCHEMBL632733 1.00 CCR8 (0.35) CCR8SIGMAR1KCNH2
SCHEMBL632714 1.00 CCR8 (0.35) CCR8SIGMAR1KCNH2
SCHEMBL632738 0.85 KCNH2 (0.36) CCR8KCNH2
SCHEMBL632891 0.85 KCNH2 (0.36) CCR8KCNH2
SCHEMBL632746 0.85 KCNH2 (0.36) CCR8KCNH2
SCHEMBL632739 0.85 KCNH2 (0.36) CCR8KCNH2

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 3 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 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 CCR8 387/4885SIGMAR1 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.