SCHEMBL5531111

SCHEMBL5531111

NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 1/20 0.56
OPRK1 P41145 1/20 0.55
KCNH2 Q12809 1/20 0.55
LMNA P02545 3/20 0.53
PKM P14618 1/20 0.53
SLC5A7 Q9GZV3 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.49

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 0.86 OPRK1 (0.70) OPRK1KCNH2GAA
SCHEMBL5534680 0.80 OPRK1 (0.59) OPRK1KCNH2
SCHEMBL5523023 0.79 OPRK1 (0.51) ALDH1A1OPRK1KCNH2LMNAKMT2A
SCHEMBL28663269 0.78 L3MBTL1 (0.62) ALDH1A1RAB9ALMNAPKMSLC5A7
SCHEMBL14570425 0.78 OPRK1 (0.59) ALDH1A1RAB9AOPRK1KCNH2LMNA
SCHEMBL27889571 0.77 OPRM1 (0.58) ALDH1A1OPRK1LMNAL3MBTL1KMT2A
SCHEMBL4387098 0.74 L3MBTL1 (0.75) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL30775258 0.73 EPHX2 (0.50) ALDH1A1RAB9AOPRK1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL27515725 0.73 L3MBTL1 (0.78) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3702368 0.73 OPRM1 (0.53) OPRK1KMT2AMEN1

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 ALDH1A1 2100/4885RAB9A 1092/4885OPRK1 2/4885

“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.