SCHEMBL580076

SCHEMBL580076

N#Cc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.73
LTA4H P09960 1/20 0.63
EPHX2 P34913 1/20 0.63
BCHE P06276 6/20 0.62
OPRD1 P41143 4/20 0.60
OPRK1 P41145 4/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA4 P22748 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.53
CACNA1G O43497 1/20 0.52
CACNA1B Q00975 1/20 0.52
MAOB P27338 1/20 0.50
ABCB1 P08183 1/20 0.50

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
SCHEMBL9154589 0.88 LTA4H (0.79) OPRM1LTA4HEPHX2BCHEOPRD1
SCHEMBL8499156 0.86 LTA4H (0.82) OPRM1LTA4HEPHX2BCHEOPRD1
SCHEMBL9081140 0.86 LTA4H (0.82) OPRM1LTA4HEPHX2BCHEOPRD1
SCHEMBL3696595 0.85 OPRM1 (1.00) OPRM1LTA4HEPHX2BCHEOPRD1
SCHEMBL3695818 0.83 OPRM1 (0.55) OPRM1LTA4HEPHX2BCHEOPRD1
SCHEMBL6165590 0.82 SIGMAR1 (0.64) OPRM1BCHEMEN1KMT2ACA12
SCHEMBL4964041 0.81 OPRM1 (0.55) OPRM1LTA4HEPHX2BCHEOPRD1
SCHEMBL8810102 0.81 LTA4H (0.94) OPRM1LTA4HEPHX2BCHEOPRD1
SCHEMBL579810 0.81 LTA4H (0.68) OPRM1LTA4HEPHX2BCHEOPRD1
SCHEMBL10098558 0.81 LTA4H (0.68) OPRM1LTA4HEPHX2BCHEOPRD1

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 21 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
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-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-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 2/4885LTA4H 2224/4885EPHX2 2120/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 OPRM1 2/4885LTA4H 2224/4885EPHX2 2120/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 OPRM1 2/4885LTA4H 2224/4885EPHX2 2120/4885

“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.