SCHEMBL6304792

SCHEMBL6304792

CNC(Cc1c(C)cc(O)cc1C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.39
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRD1 P41143 2/20 0.36

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
SCHEMBL38802 1.00 OPRK1 (0.39) OPRK1CYP3A4ACHEOPRM1OPRD1
SCHEMBL8301882 0.86 OPRM1 (0.39) OPRK1CYP3A4ACHEOPRM1OPRD1
SCHEMBL13282134 0.86 OPRM1 (0.39) OPRK1CYP3A4ACHEOPRM1OPRD1
SCHEMBL28168377 0.85 OPRM1 (0.38) CYP3A4ACHEOPRM1OPRD1
SCHEMBL18655444 0.83 LMNA (0.45)
SCHEMBL13288278 0.82 OPRM1 (0.43) OPRK1OPRM1OPRD1
SCHEMBL10636928 0.82 CYP3A4 (0.41) CYP3A4
SCHEMBL10636921 0.82 CYP3A4 (0.41) CYP3A4
SCHEMBL28168381 0.82 OPRM1 (0.37) OPRK1OPRM1OPRD1
SCHEMBL38327 0.81 L3MBTL1 (0.49)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016187537-A1 MULTIFUNCTIONAL OPIOID RECEPTOR LIGANDS AND METHODS OF TREATING PAIN THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-11-24 WO disclosed
US-6916905-B2 Dmt-Tic di-and tri-peptidic derivatives and related compositions and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-07-12 US disclosed
US-6753317-B1 ANTAGONISTS FOR DELTA -OPIOID RECEPTORS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-06-22 US disclosed
WO-2003062261-A2 DMT-TIC DI- AND TRI-PEPTIDIC DERIVATIVES AND RELATED COMPOSITIONS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-07-31 WO disclosed
US-20020161189-A1 Dmt-Tic di-and tri-peptidic derivatives and related compositions and methods of use THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC 2002-10-31 US 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-20020161189-A1 Dmt-Tic di-and tri-peptidic derivatives and related compositions and methods of use NMT2, TPST2, TEKT1 OPRK1 2078/4885CYP3A4 2130/4885ACHE 4566/4885

“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.