SCHEMBL4963401

SCHEMBL4963401

CC(C)CCNCc1ccc(Oc2ccc(C(N)=O)cc2)o1

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 10/20 0.41
PARP15 Q460N3 2/20 0.41
PARP4 Q9UKK3 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP16 Q8N5Y8 1/20 0.41
PARP11 Q9NR21 1/20 0.41
PRSS1 P07477 1/20 0.40
TMPRSS15 P98073 1/20 0.40
PARP3 Q9Y6F1 1/20 0.38
ALOX5 P09917 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
GRIN2D O15399 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
SCHEMBL12608213 0.80 KDM4E (0.47) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL4963704 0.77 OPRM1 (0.43) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL3704778 0.74 SLC6A4 (0.47) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL4964019 0.74 SLC8A1 (0.50) OPRM1OPRD1OPRK1PARP10PARP15
Trifluoroacetic Acid SCHEMBL1787859 0.73 KDM4E (0.44) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL3694759 0.73 OPRM1 (0.61) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3691156 0.73 CARM1 (0.51) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL6631537 0.72 PARP10 (0.64) PARP10PARP15PARP4ALDH1A1KMT2A
SCHEMBL3238928 0.72 PARP10 (0.62) OPRM1OPRD1OPRK1PARP10ALDH1A1
SCHEMBL3239373 0.72 PARP10 (0.62) OPRM1OPRD1OPRK1PARP10ALDH1A1

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 8 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 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.