SCHEMBL1030746

SCHEMBL1030746

CCCN(CCOc1ccc([N+](=O)[O-])c(OC)n1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 10/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
GSR P00390 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
ERN1 O75460 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL1032190 0.88 KDM4E (0.39) TXNRD1KDM4EALDH1A1KMT2AGAA
SCHEMBL3885454 0.86 TXNRD1 (0.39) TXNRD1KDM4EALDH1A1KMT2AGAA
SCHEMBL1028805 0.84 PIN1 (0.34) KDM4EGAASMN1; SMN2
SCHEMBL1032439 0.83 SSTR4 (0.33) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1027137 0.76 SSTR4 (0.34) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1030184 0.74 TXNRD1 (0.43) TXNRD1KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL3899401 0.73 KDM4E (0.42) TXNRD1KDM4EALDH1A1KMT2AGAA
SCHEMBL26087592 0.73 TXNRD1 (0.46) TXNRD1ALDH1A1KMT2AGSRSMN1; SMN2
SCHEMBL12113606 0.72 TXNRD1 (0.51) TXNRD1ALDH1A1GSRMAPT
SCHEMBL1027194 0.72 KDM4E (0.36) KDM4EGAAMAPT

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-8383641-B2 Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-02-26 US disclosed
EP-2013179-B1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-01-19 EP disclosed
US-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-06-04 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-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, DRD3, MC3R TXNRD1 1756/4885KDM4E 2181/4885ALDH1A1 671/4885

“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.