SCHEMBL579645

SCHEMBL579645

CC(=O)Nc1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPY5R Q15761 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
PTPN1 P18031 1/20 0.54
NR3C1 P04150 1/20 0.53
RECQL P46063 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RNF4 P78317 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51

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
SCHEMBL579763 0.95 OPRM1 (0.54) MEN1KMT2ANPY5RALDH1A1NPSR1
SCHEMBL579606 0.93 OPRM1 (0.65) MEN1KMT2ANPY5RALDH1A1NPSR1
SCHEMBL579992 0.89 ADRB1 (0.54) MEN1KMT2AALDH1A1ADRB2ADRB1
SCHEMBL5659737 0.87 LTA4H (0.62) MEN1KMT2ANPY5RALDH1A1ADRB2
SCHEMBL580383 0.85 ADRB2 (0.51) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL579876 0.85 ADRB1 (0.54) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL579438 0.84 ADRB2 (0.50) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL579590 0.84 SCN8A (0.51) MEN1KMT2ANPY5RALDH1A1NPSR1
SCHEMBL580367 0.84 ADRB1 (0.61) MEN1KMT2AOPRK1ADRB2ADRB1
SCHEMBL580095 0.82 NAMPT (0.60) KMT2AALDH1A1OPRM1OPRD1OPRK1

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 MEN1 4770/4885KMT2A 3472/4885NPY5R 14/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 MEN1 4770/4885KMT2A 3472/4885NPY5R 14/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 MEN1 4770/4885KMT2A 3472/4885NPY5R 14/4885

“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.