SCHEMBL580224

SCHEMBL580224

O=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
OPRM1 P35372 4/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 2/20 0.55
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
BLM P54132 1/20 0.53
FAAH O00519 2/20 0.53
RECQL P46063 1/20 0.52
ALDH1A1 P00352 3/20 0.51
EPHX2 P34913 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL580563 0.86 OPRM1 (0.53) OPRM1OPRD1OPRK1HPGDGAA
SCHEMBL579606 0.79 OPRM1 (0.65) OPRM1OPRD1OPRK1NPSR1RECQL
SCHEMBL579469 0.78 OPRM1 (0.67) OPRM1OPRD1OPRK1HPGDSMN1; SMN2
SCHEMBL13234921 0.78 MAPT (0.71) CYP2C9CYP2C19HPGDGAAMAPT
SCHEMBL580225 0.76 SMN1; SMN2 (0.71) OPRM1OPRD1OPRK1HPGDGAA
SCHEMBL9154589 0.75 LTA4H (0.79) OPRM1OPRD1OPRK1GAAMAPT
SCHEMBL580192 0.75 MEN1 (0.60) OPRM1OPRD1OPRK1HPGDMAPT
SCHEMBL579551 0.74 RECQL (0.57) OPRM1OPRD1OPRK1MAPTSMN1; SMN2
SCHEMBL8868619 0.74 GAA (0.66) CYP2C9CYP2C19HPGDGAAMAPT
SCHEMBL8868600 0.74 GAA (0.66) CYP2C9CYP2C19HPGDGAAMAPT

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
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP claimed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP disclosed
US-20110105571-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY (US) 2011-05-05 US disclosed
US-7902372-B2 Therapy for obesity; using a secondary amino compound ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO 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-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 CYP2C9 939/4885CYP2C19 1159/4885OPRM1 2/4885

“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.