SCHEMBL4963704

SCHEMBL4963704

CC(C)CCNCc1ccc(Oc2ccc(C(N)=O)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
PARP10 Q53GL7 12/20 0.41
PARP15 Q460N3 4/20 0.41
PARP4 Q9UKK3 2/20 0.41
PARP14 Q460N5 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
PARP16 Q8N5Y8 1/20 0.41
PARP11 Q9NR21 1/20 0.41
PARP3 Q9Y6F1 1/20 0.38
PARP2 Q9UGN5 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL4963846 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL4964185 0.83 MAPK1 (0.44) OPRM1OPRD1OPRK1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4964496 0.82 MAPK1 (0.43) OPRM1OPRD1OPRK1ALDH1A1KMT2A
SCHEMBL4964019 0.81 SLC8A1 (0.50) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL4964763 0.81 OPRM1 (0.69) OPRM1OPRD1OPRK1PARP10KMT2A
SCHEMBL12607762 0.80 RORC (0.50) OPRM1OPRD1OPRK1PARP10CA2
SCHEMBL4965706 0.79 OPRM1 (0.43) OPRM1OPRD1OPRK1KMT2ACA2
SCHEMBL4963842 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL4965157 0.79 PARP10 (0.46) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL4963401 0.77 OPRM1 (0.43) OPRM1OPRD1OPRK1PARP10PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP claimed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US claimed
US-20060166987-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2006-07-27 US claimed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP claimed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO claimed
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-20060166987-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP disclosed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 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-20060166987-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885OPRK1 3/4885

“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.