SCHEMBL579876

SCHEMBL579876

CC(=O)Nc1ccc(Oc2ccc(CCNCCC(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.54
ADRB2 P07550 2/20 0.54
ADRB3 P13945 2/20 0.54
HTT P42858 1/20 0.48
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACACB O00763 5/20 0.44
ACACA Q13085 3/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL580367 0.88 ADRB1 (0.61) ADRB1ADRB2ADRB3HTTPKM
SCHEMBL579645 0.85 MEN1 (0.56) ADRB1ADRB2ADRB3HTTMTNR1A
SCHEMBL579992 0.85 ADRB1 (0.54) ADRB1ADRB2ADRB3HTTHSD17B10
SCHEMBL580383 0.82 ADRB2 (0.51) ADRB1ADRB2ADRB3HTTMTNR1A
SCHEMBL579763 0.81 OPRM1 (0.54) ADRB1ADRB2ADRB3MEN1KMT2A
SCHEMBL579438 0.81 ADRB2 (0.50) ADRB1ADRB2ADRB3HTTMEN1
SCHEMBL579606 0.80 OPRM1 (0.65) MEN1KMT2AEPHX2
SCHEMBL20784606 0.79 HSD17B10 (0.56) HTTPKMMAPK1HSD17B10MEN1
SCHEMBL579608 0.77 EPHX2 (0.47) ADRB1ADRB2ADRB3HTTEPHX2
SCHEMBL580125 0.77 LTA4H (0.51) ADRB1ADRB2ADRB3HTTMTNR1A

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 4 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-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP 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 (1 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-20070066658-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.