SCHEMBL580125

SCHEMBL580125

CC(=O)Nc1ccc(Oc2ccc(CCNCc3cc(F)cc(F)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
FPR2 P25090 1/20 0.49
ADRB1 P08588 2/20 0.48
ADRB2 P07550 1/20 0.48
ADRB3 P13945 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL580036 0.90 LTA4H (0.51) LTA4HEPHX2FPR2ADRB1ADRB2
SCHEMBL579606 0.84 OPRM1 (0.65) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL579570 0.81 CYP1A2 (0.53) ADRB1ADRB2ADRB3CYP1A2CYP2D6
SCHEMBL579992 0.80 ADRB1 (0.54) ADRB1ADRB2ADRB3CYP1A2POLB
SCHEMBL579645 0.80 MEN1 (0.56) FPR2ADRB1ADRB2ADRB3OPRM1
SCHEMBL580095 0.78 NAMPT (0.60) ADRB1ADRB3POLBOPRM1OPRD1
SCHEMBL579590 0.78 SCN8A (0.51) LTA4HEPHX2FPR2ADRB1ADRB2
SCHEMBL580367 0.78 ADRB1 (0.61) ADRB1ADRB2ADRB3CYP1A2CYP2D6
SCHEMBL579787 0.77 L3MBTL1 (0.58) ADRB1ADRB2ADRB3CYP1A2CYP2D6
SCHEMBL579611 0.77 ALDH1A1 (0.56) ADRB1ADRB2ADRB3POLBHTT

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 LTA4H 2224/4885EPHX2 2120/4885FPR2 826/4885

“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.