SCHEMBL4919339

SCHEMBL4919339

[CH]1C=CC(Oc2ccc(CCNCc3ccccc3)cc2)=CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
BCHE P06276 6/20 0.53
OPRM1 P35372 9/20 0.52
OPRD1 P41143 7/20 0.52
OPRK1 P41145 5/20 0.52
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GRIN1 Q05586 1/20 0.45
KCNH2 Q12809 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
ROCK1 Q13464 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
SCHEMBL9154589 0.80 LTA4H (0.79) LTA4HEPHX2BCHEOPRM1OPRD1
SCHEMBL9081140 0.79 LTA4H (0.82) LTA4HEPHX2BCHEOPRM1OPRD1
SCHEMBL8499156 0.79 LTA4H (0.82) LTA4HEPHX2BCHEOPRM1OPRD1
SCHEMBL8810102 0.74 LTA4H (0.94) LTA4HEPHX2BCHEOPRM1OPRD1
SCHEMBL10098558 0.74 LTA4H (0.68) LTA4HEPHX2BCHEOPRM1OPRD1
SCHEMBL579810 0.74 LTA4H (0.68) LTA4HEPHX2BCHEOPRM1OPRD1
SCHEMBL11881258 0.73 GAA (0.91) LTA4HEPHX2BCHEGAAMAPT
SCHEMBL3272134 0.73 GAA (0.91) LTA4HEPHX2BCHEGAAMAPT
SCHEMBL27228 0.72 GAA (0.95) BCHEGAAMAPTMEN1KMT2A
SCHEMBL14201268 0.71 OPRM1 (0.65) LTA4HEPHX2BCHEOPRM1OPRD1

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
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LTA4H 2224/4885EPHX2 2120/4885BCHE 1305/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 LTA4H 2224/4885EPHX2 2120/4885BCHE 1305/4885

“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.