SCHEMBL6480860

SCHEMBL6480860

CN(C(=O)C(OS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1)C(CN1CCCC1)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.56
OPRD1 P41143 6/20 0.45
OPRM1 P35372 4/20 0.45
CYP2D6 P10635 3/20 0.45

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
SCHEMBL6486775 0.84 OPRK1 (0.51) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL6480856 0.82 OPRK1 (0.78) OPRK1OPRD1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL6490441 0.73 OPRK1 (0.67) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL21468948 0.73 OPRD1 (0.78) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL16379669 0.73 OPRD1 (0.78) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL6478803 0.72 OPRK1 (0.52) OPRK1OPRD1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL6477965 0.72 OPRD1 (0.79) OPRK1OPRD1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL6477959 0.72 OPRD1 (0.79) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL19739288 0.71 OPRK1 (0.53) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL17883711 0.71 OPRK1 (0.53) OPRK1OPRD1OPRM1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2005-01-27 US claimed
US-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-01-31 US claimed
US-6239154-B1 ARYLACETAMIDES, AGONISTS AT KAPPA OPIOID RECEPTORS. ADOLOR CORPORATION 2001-05-29 US claimed
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2005-01-27 US disclosed
US-6492351-B1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-12-10 US disclosed
US-6486165-B2 TREATING WITH AGONISTS AT KAPPA OPIOID RECEPTORS SUCH AS METHYL-4-(2-GLYCYL-4-(TRIFLUOROMETHYLPHENYL)ACETYL)-3-(R,S)-((1 -PYRROLIDINYL)-METHYL)-1-PIPERAZINECARBOXYLATE ADOLOR CORPORATION 2002-11-26 US disclosed
US-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-08-01 US disclosed
US-6391910-B1 OPIOID ANTAGONIST; ANALGESIC ADOLOR CORPORATION 2002-05-21 US disclosed
US-6303611-B1 FOR THERAPY OF HYPERALGESIS ADOLOR CORPORATION 2001-10-16 US disclosed
US-6239154-B1 ARYLACETAMIDES, AGONISTS AT KAPPA OPIOID RECEPTORS. ADOLOR CORPORATION 2001-05-29 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 (3 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-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 OPRK1 1/4885OPRD1 2/4885OPRM1 8/4885
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885OPRM1 3/4885
US-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 OPRK1 1/4885OPRD1 2/4885OPRM1 8/4885

“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.