SCHEMBL4963752

SCHEMBL4963752

NC(=O)c1ccc(Oc2ccc(CNCC3CCCCC3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
F2 P00734 2/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
MMP13 P45452 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP15 Q460N3 2/20 0.39
PARP10 Q53GL7 2/20 0.39

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
SCHEMBL4964061 0.89 OPRM1 (0.41) HDAC6F2OPRM1OPRD1OPRK1
SCHEMBL4965288 0.80 OPRM1 (0.46) OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4963746 0.76 HRH3 (0.48) OPRM1KMT2AMEN1
SCHEMBL4965706 0.76 OPRM1 (0.43) HDAC1OPRM1OPRD1OPRK1KMT2A
SCHEMBL14132128 0.76 OPRM1 (0.67) OPRM1OPRD1OPRK1KMT2AALDH1A1
SCHEMBL4964102 0.76 OPRM1 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL4963716 0.75 LTA4H (0.55) HDAC1OPRM1OPRD1OPRK1KMT2A
SCHEMBL3090215 0.75 HDAC6 (0.71) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL4964806 0.74 OPRM1 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL8826390 0.73 HTT (0.58) HDAC6HDAC3HDAC4HDAC1HDAC8

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 9 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-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
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 HDAC6 1031/4885HDAC3 638/4885HDAC4 2634/4885

“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.