SCHEMBL5523023

SCHEMBL5523023

NC(=O)c1ccc(OC2CCN(Cc3cc4ccccc4[nH]3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.51
KCNH2 Q12809 1/20 0.51
CHEK2 O96017 3/20 0.46
HRH4 Q9H3N8 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRM1 P35372 5/20 0.44
OPRD1 P41143 3/20 0.44
CCR8 P51685 2/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LIPE Q05469 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL14570422 0.81 OPRK1 (0.70) OPRK1KCNH2CHEK2OPRM1OPRD1
SCHEMBL5531111 0.79 ALDH1A1 (0.58) OPRK1KCNH2LMNAMEN1ALDH1A1
SCHEMBL5534680 0.76 OPRK1 (0.59) OPRK1KCNH2OPRM1OPRD1
SCHEMBL14570425 0.74 OPRK1 (0.59) OPRK1KCNH2LMNAOPRM1OPRD1
SCHEMBL23964187 0.73 HRH4 (0.54) KCNH2HRH4CCR8SLC6A4SLC6A3
SCHEMBL30041061 0.73 HRH4 (0.54) KCNH2HRH4CCR8SLC6A4SLC6A3
SCHEMBL14972600 0.72 HRH4 (0.59) HRH4MAPTLMNANPSR1SLC6A4
SCHEMBL5519275 0.70 OPRK1 (0.53) OPRK1KCNH2CHEK2OPRM1OPRD1
Hydrochloric Acid SCHEMBL5525297 0.69 OPRK1 (0.52) OPRK1KCNH2CHEK2OPRM1OPRD1
SCHEMBL14597172 0.68 OPRK1 (0.53) OPRK1KCNH2OPRM1OPRD1

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-1697307-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-12 EP claimed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US claimed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 US claimed
EP-1697307-A1 OPIOID RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-09-06 EP claimed
WO-2005061442-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-07-07 WO claimed
EP-1697307-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-12 EP disclosed
EP-1697307-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-12 EP disclosed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 US disclosed
EP-1697307-A1 OPIOID RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-09-06 EP disclosed
WO-2005061442-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-07-07 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-20070010558-A1 Opioid receptor antagonists OPRM1, OPRK1, OPRL1 OPRK1 2/4885KCNH2 543/4885CHEK2 4880/4885

“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.