SCHEMBL6359695

SCHEMBL6359695

CN(C(=O)Cc1cccc(N)c1N(S(C)(=O)=O)S(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.75
CYP2D6 P10635 7/20 0.66
OPRM1 P35372 5/20 0.65
OPRD1 P41143 5/20 0.65
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL5631993 0.86 OPRK1 (1.00) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL17870633 0.86 OPRK1 (1.00) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL8089140 0.84 OPRK1 (0.73) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL5631916 0.84 OPRK1 (0.80) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL6478584 0.79 OPRK1 (0.82) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL5631924 0.79 OPRK1 (0.82) OPRK1CYP2D6OPRM1OPRD1CYP3A4
Hydrochloric Acid SCHEMBL5842166 0.79 OPRK1 (0.98) OPRK1CYP2D6OPRM1OPRD1CYP3A4
Hydrochloric Acid SCHEMBL5842170 0.79 OPRK1 (0.98) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL5843674 0.79 OPRK1 (1.00) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL5843678 0.79 OPRK1 (1.00) OPRK1CYP2D6OPRM1OPRD1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960612-B2 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION (US) 2005-11-01 US claimed
US-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2004-11-04 US claimed
US-6960612-B2 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION (US) 2005-11-01 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-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 886/4885OPRM1 3/4885

“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.