SCHEMBL579787

SCHEMBL579787

CC(=O)Nc1ccc(Oc2ccc(CCNCc3cccs3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 1/20 0.50
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRB2 P07550 1/20 0.47
NPC1 O15118 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL579606 0.82 OPRM1 (0.65) L3MBTL1KDM4EKMT2AMEN1ATM
SCHEMBL579710 0.81 MEN1 (0.50) ADRB1ADRB3KMT2AMEN1ALDH1A1
SCHEMBL579645 0.80 MEN1 (0.56) L3MBTL1KDM4EADRB1ADRB3HPGD
SCHEMBL579611 0.80 ALDH1A1 (0.56) L3MBTL1KDM4EADRB1ADRB3HPGD
SCHEMBL579590 0.78 SCN8A (0.51) KDM4EADRB1ADRB3KMT2AMEN1
SCHEMBL579992 0.78 ADRB1 (0.54) ADRB1ADRB3KMT2AMEN1ALDH1A1
SCHEMBL580125 0.77 LTA4H (0.51) KDM4EADRB1ADRB3KMT2AMEN1
SCHEMBL580095 0.76 NAMPT (0.60) L3MBTL1KDM4EADRB1ADRB3KMT2A
SCHEMBL579570 0.76 CYP1A2 (0.53) ADRB1ADRB3KMT2AMEN1ADRB2
SCHEMBL580036 0.76 LTA4H (0.51) KDM4EADRB1ADRB3KMT2AMEN1

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 14 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
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US claimed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US claimed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP claimed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO claimed
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-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-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
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 L3MBTL1 463/4885KDM4E 2548/4885ADRB1 33/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 L3MBTL1 463/4885KDM4E 2548/4885ADRB1 33/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 L3MBTL1 463/4885KDM4E 2548/4885ADRB1 33/4885

“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.