SCHEMBL579608

SCHEMBL579608

CC(=O)Nc1ccc(Oc2ccc(CCNCCC3CCCCC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
NPY5R Q15761 1/20 0.45
HTT P42858 1/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
PDGFRA P16234 2/20 0.43
CHRM4 P08173 1/20 0.42
KLK7 P49862 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL579582 0.91 EPHX2 (0.49) EPHX2ADRB2ADRB1ADRB3NPY5R
SCHEMBL579600 0.85 HTT (0.54) EPHX2ADRB2ADRB1ADRB3HTT
SCHEMBL579992 0.80 ADRB1 (0.54) ADRB2ADRB1ADRB3HTTALDH1A1
SCHEMBL579645 0.80 MEN1 (0.56) ADRB2ADRB1ADRB3NPY5RHTT
SCHEMBL580383 0.77 ADRB2 (0.51) ADRB2ADRB1ADRB3HTTPOLB
SCHEMBL579876 0.77 ADRB1 (0.54) EPHX2ADRB2ADRB1ADRB3HTT
SCHEMBL579438 0.76 ADRB2 (0.50) ADRB2ADRB1ADRB3HTTPOLB
SCHEMBL579763 0.76 OPRM1 (0.54) ADRB2ADRB1ADRB3NPY5RALDH1A1
SCHEMBL580367 0.76 ADRB1 (0.61) ADRB2ADRB1ADRB3HTT
SCHEMBL579606 0.75 OPRM1 (0.65) EPHX2NPY5RKDM4EALDH1A1

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 EPHX2 2120/4885ADRB2 78/4885ADRB1 33/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 EPHX2 2120/4885ADRB2 78/4885ADRB1 33/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 EPHX2 2120/4885ADRB2 78/4885ADRB1 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.