SCHEMBL580296

SCHEMBL580296

NC(=O)c1ccc(Nc2ccc(CCNCC3CCCCC3)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
CDK2 P24941 3/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
CDK1 P06493 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
ROCK1 Q13464 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
GRM5 P41594 6/20 0.41

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
SCHEMBL579934 0.89 HDAC6 (0.53) OPRM1OPRD1OPRK1CDK2CCNA2
SCHEMBL3694670 0.80 OPRM1 (0.70) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3699610 0.80 OPRM1 (0.70) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL579577 0.79 OPRM1 (0.65) MAPTOPRM1OPRD1OPRK1GRIN2D
SCHEMBL579470 0.79 OPRM1 (0.65) MAPTOPRM1OPRD1OPRK1GRIN2D
SCHEMBL3702502 0.79 OPRM1 (0.71) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL580269 0.78 NNMT (0.51) MAPTOPRM1OPRD1OPRK1ROCK1
SCHEMBL3689289 0.77 OPRM1 (0.71) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL12662136 0.74 NNMT (0.56) MAPTGRM5NNMT
SCHEMBL3697072 0.74 OPRM1 (0.74) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US claimed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP claimed
US-20110105571-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY (US) 2011-05-05 US claimed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 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

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 MAPT 3711/4885OPRM1 2/4885OPRD1 1/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 MAPT 3711/4885OPRM1 2/4885OPRD1 1/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 MAPT 3711/4885OPRM1 2/4885OPRD1 1/4885

“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.