SCHEMBL579992

SCHEMBL579992

CCCNCCc1ccc(Oc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.54
ADRB2 P07550 2/20 0.54
ADRB3 P13945 2/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACACB O00763 1/20 0.45
ACACA Q13085 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
SCHEMBL580383 0.91 ADRB2 (0.51) ADRB1ADRB2ADRB3KMT2AMEN1
SCHEMBL579438 0.90 ADRB2 (0.50) ADRB1ADRB2ADRB3KMT2AMEN1
SCHEMBL579645 0.89 MEN1 (0.56) ADRB1ADRB2ADRB3KMT2AMEN1
SCHEMBL579876 0.85 ADRB1 (0.54) ADRB1ADRB2ADRB3KMT2AMEN1
SCHEMBL579763 0.84 OPRM1 (0.54) ADRB1ADRB2ADRB3KMT2AMEN1
SCHEMBL580367 0.84 ADRB1 (0.61) ADRB1ADRB2ADRB3KMT2AMEN1
SCHEMBL579606 0.83 OPRM1 (0.65) KMT2AMEN1ALDH1A1
SCHEMBL579608 0.80 EPHX2 (0.47) ADRB1ADRB2ADRB3HTTPOLB
SCHEMBL579582 0.80 EPHX2 (0.49) ADRB1ADRB2ADRB3KMT2AHTT
SCHEMBL580125 0.80 LTA4H (0.51) ADRB1ADRB2ADRB3KMT2AMEN1

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 ADRB1 33/4885ADRB2 78/4885ADRB3 34/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 ADRB1 33/4885ADRB2 78/4885ADRB3 34/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 ADRB1 33/4885ADRB2 78/4885ADRB3 34/4885

“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.