SCHEMBL580223

SCHEMBL580223

CC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.76
OPRD1 P41143 9/20 0.76
OPRK1 P41145 6/20 0.76
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
ATM Q13315 1/20 0.65
GRIN2D O15399 1/20 0.61
GRIN3B O60391 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
GRIN1 Q05586 1/20 0.61
KCNH2 Q12809 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRIN2B Q13224 1/20 0.61
ROCK1 Q13464 1/20 0.61
GRIN2C Q14957 1/20 0.61
GRIN3A Q8TCU5 1/20 0.61
LTA4H P09960 1/20 0.60
EPHX2 P34913 1/20 0.60
BCHE P06276 2/20 0.56

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
SCHEMBL17031945 0.92 ALDH1A1 (0.63) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL580098 0.86 OPRM1 (1.00) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL579714 0.86 OPRM1 (0.68) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL3692341 0.86 OPRM1 (1.00) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL9154589 0.85 LTA4H (0.79) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL579606 0.84 OPRM1 (0.65) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL8499156 0.84 LTA4H (0.82) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL9081140 0.84 LTA4H (0.82) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL10098558 0.81 LTA4H (0.68) OPRM1OPRD1OPRK1KMT2AMEN1
Acetic Acid SCHEMBL11481571 0.81 GAA (0.74) OPRM1OPRD1OPRK1KMT2AMEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 US claimed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
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-20110105571-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY (US) 2011-05-05 US 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
US-7902372-B2 Therapy for obesity; using a secondary amino compound ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 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 (3 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-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885

“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.