SCHEMBL3239373

SCHEMBL3239373

CC(C)CCNCc1ccc(COc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.62
MAOB P27338 2/20 0.56
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
DPP7 Q9UHL4 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3238928 1.00 PARP10 (0.62) PARP10MAOBOPRM1OPRD1OPRK1
SCHEMBL3238389 0.88 PARP10 (0.56) PARP10MAOBOPRM1OPRD1OPRK1
SCHEMBL3240909 0.88 OPRM1 (0.55) PARP10MAOBOPRM1OPRD1OPRK1
SCHEMBL14169486 0.87 BCHE (0.52) PARP10OPRM1OPRD1OPRK1
SCHEMBL3238903 0.87 MAOB (0.52) PARP10MAOBOPRM1OPRD1OPRK1
SCHEMBL3241158 0.86 SPHK2 (0.53) MAOBOPRM1OPRD1OPRK1
SCHEMBL14415410 0.81 BCHE (0.52) MAOBALDH1A1MAPTMAPK1
SCHEMBL3241032 0.81 SCN3A (0.51) OPRM1OPRK1DPP7HTT
SCHEMBL3236652 0.80 PARP10 (0.55) PARP10MAOBOPRM1OPRD1OPRK1
SCHEMBL1532866 0.80 OPRM1 (0.70) OPRM1OPRD1OPRK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727788-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-07-28 EP claimed
US-7381750-B2 Amino-phenoxymethyl-benzamide opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-06-03 US claimed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 US claimed
EP-1727788-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-06 EP claimed
WO-2005090286-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 WO claimed
EP-1727788-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-07-28 EP disclosed
EP-1727788-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-07-28 EP disclosed
US-7381750-B2 Amino-phenoxymethyl-benzamide opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-7381750-B2 Amino-phenoxymethyl-benzamide opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-7381750-B2 Amino-phenoxymethyl-benzamide opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 US disclosed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 US disclosed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 US disclosed
EP-1727788-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-06 EP disclosed
WO-2005090286-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 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 (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-20070287751-A1 Opioid Receptor Antagonists OPRK1, OPRM1, OPRD1 PARP10 2862/4885MAOB 1104/4885OPRM1 2/4885

“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.