SCHEMBL633480

SCHEMBL633480

NC1CCN(CC2CN(c3ccc4c(c3)NC(=O)CO4)C(=O)O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.46
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
DRD4 P21917 6/20 0.44
DRD2 P14416 5/20 0.44
DRD3 P35462 3/20 0.44
PARP1 P09874 2/20 0.44
NR3C2 P08235 1/20 0.42

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
SCHEMBL633479 1.00 SIGMAR1 (0.46) SIGMAR1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL633863 0.91 ALDH1A1 (0.47) SIGMAR1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL633862 0.91 ALDH1A1 (0.47) SIGMAR1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL590197 0.83 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1DRD4
SCHEMBL591143 0.83 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1DRD4
SCHEMBL633752 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL633751 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL16179910 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1DRD4
SCHEMBL591583 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1DRD4
SCHEMBL592012 0.81 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1DRD4

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 SIGMAR1 28/4885ALDH1A1 2633/4885KMT2A 1674/4885

“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.