SCHEMBL632837

SCHEMBL632837

COc1ccc2nccc(NC3CN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)C3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
MCHR1 Q99705 1/20 0.45
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 9/20 0.41
HTR1A P08908 2/20 0.41
CYP2C9 P11712 1/20 0.39

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
SCHEMBL633981 1.00 KCNH2 (0.45) KCNH2MCHR1DRD2DRD4SIGMAR1
SCHEMBL633039 0.90 KCNH2 (0.53) KCNH2DRD2DRD4SIGMAR1
SCHEMBL633189 0.90 KCNH2 (0.53) KCNH2DRD2DRD4SIGMAR1
SCHEMBL633993 0.89 NR3C2 (0.41) KCNH2MCHR1SIGMAR1HTR1A
SCHEMBL633992 0.89 NR3C2 (0.41) KCNH2MCHR1SIGMAR1HTR1A
SCHEMBL633917 0.87 KCNH2 (0.40) KCNH2DRD2DRD4
SCHEMBL633655 0.87 KCNH2 (0.40) KCNH2DRD2DRD4
SCHEMBL632722 0.86 KCNH2 (0.43) KCNH2MCHR1SIGMAR1
SCHEMBL632721 0.86 KCNH2 (0.43) KCNH2MCHR1SIGMAR1
SCHEMBL3427490 0.86 KCNH2 (0.45) KCNH2MCHR1DRD2DRD4HTR1A

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 31/4885MCHR1 179/4885DRD2 323/4885

“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.