SCHEMBL4964041

SCHEMBL4964041

N#Cc1ccc(Oc2ccc(CNCCc3ccccc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
BCHE P06276 4/20 0.44
ABCB1 P08183 1/20 0.44
HPGD P15428 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MAOB P27338 2/20 0.43
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL4964794 0.92 OPRM1 (0.50) OPRM1BCHEABCB1HPGDABCG2
SCHEMBL580076 0.81 OPRM1 (0.73) OPRM1BCHEABCB1HPGDABCG2
SCHEMBL4964763 0.79 OPRM1 (0.69) OPRM1LTA4HEPHX2OPRD1OPRK1
SCHEMBL3695818 0.74 OPRM1 (0.55) OPRM1BCHEABCB1HPGDABCG2
SCHEMBL8496849 0.72 CD274 (0.42) MAOBLTA4HEPHX2GAAMEN1
SCHEMBL4964788 0.71 PARP15 (0.39) MAOBMEN1KMT2ALMNACA1
SCHEMBL4965175 0.71 OPRM1 (0.63) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL3696595 0.71 OPRM1 (1.00) OPRM1BCHELTA4HEPHX2OPRD1
Hydrochloric Acid SCHEMBL4966147 0.70 OPRM1 (0.62) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL9154589 0.68 LTA4H (0.79) OPRM1BCHELTA4HEPHX2OPRD1

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 7 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 disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US 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 OPRM1 1/4885BCHE 1864/4885ABCB1 1051/4885

“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.