SCHEMBL5534680

SCHEMBL5534680

NC(=O)c1ccc(OC2CCN(CC3CC3)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.59
KCNH2 Q12809 2/20 0.53
NNMT P40261 2/20 0.46
HRH3 Q9Y5N1 3/20 0.43
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
OPRM1 P35372 2/20 0.41
NAMPT P43490 1/20 0.41
OPRD1 P41143 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 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 0.82 OPRK1 (0.70) OPRK1KCNH2OPRM1OPRD1
SCHEMBL12367586 0.81 NAMPT (0.54) OPRK1NAMPT
SCHEMBL5531111 0.80 ALDH1A1 (0.58) OPRK1KCNH2
SCHEMBL14570425 0.79 OPRK1 (0.59) OPRK1KCNH2HTR2AOPRM1OPRD1
SCHEMBL12367604 0.79 OPRK1 (0.42) OPRK1KCNH2SIGMAR1HRH1CCR3
SCHEMBL12367663 0.79 OPRK1 (0.42) OPRK1KCNH2HRH3NAMPT
SCHEMBL5519275 0.77 OPRK1 (0.53) OPRK1KCNH2NNMTHRH3OPRM1
SCHEMBL14597172 0.77 OPRK1 (0.53) OPRK1KCNH2NNMTHRH3OPRM1
SCHEMBL5523023 0.76 OPRK1 (0.51) OPRK1KCNH2OPRM1OPRD1
Hydrochloric Acid SCHEMBL5525297 0.76 OPRK1 (0.52) OPRK1KCNH2NNMTHRH3OPRM1

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 17 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-20110207734-A1 Azine Derivatives and Methods of Use Thereof PALANI ANANDAN 2011-08-25 US disclosed
US-20110207734-A1 Azine Derivatives and Methods of Use Thereof PALANI ANANDAN 2011-08-25 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-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 (2 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-20110207734-A1 Azine Derivatives and Methods of Use Thereof AZI2, GPR119, GID4 OPRK1 252/4885KCNH2 414/4885NNMT 906/4885
US-20070010558-A1 Opioid receptor antagonists OPRM1, OPRK1, OPRL1 OPRK1 2/4885KCNH2 543/4885NNMT 2875/4885

“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.