SCHEMBL4964751

SCHEMBL4964751

CC(C)(C)CCNCc1ccc(Oc2ccc(C(N)=O)s2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.41
PRMT6 Q96LA8 3/20 0.41
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 4/20 0.35
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
MAOB P27338 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL4964032 0.88 OPRM1 (0.37) OPRM1OPRD1OPRK1S1PR2S1PR1
SCHEMBL4964748 0.86 CARM1 (0.43) CARM1PRMT6OPRM1OPRD1OPRK1
SCHEMBL4963849 0.84 ALDH1A1 (0.44) CARM1PRMT6OPRM1OPRD1OPRK1
SCHEMBL4964102 0.83 OPRM1 (0.43) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6388614 0.77 OPRM1 (0.38) CARM1PRMT6OPRM1OPRD1OPRK1
SCHEMBL3689306 0.76 OPRM1 (0.52) CARM1PRMT6OPRM1OPRD1OPRK1
SCHEMBL4964762 0.76 KMT2A (0.52) MEN1KMT2A
SCHEMBL3691619 0.76 SIRT6 (0.41) CARM1PRMT6OPRM1OPRD1OPRK1
SCHEMBL13285733 0.76 OPRK1 (0.49) OPRM1OPRD1OPRK1
SCHEMBL4964650 0.75 CYP2D6 (0.50) OPRM1OPRD1OPRK1MEN1KMT2A

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 CARM1 1465/4885PRMT6 2521/4885OPRM1 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.