SCHEMBL19739293

SCHEMBL19739293

CN(C(CN1CCC(O)C1)c1ccc(OCCO)cc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.47
CYP2D6 P10635 7/20 0.47
OPRM1 P35372 9/20 0.44
OPRD1 P41143 9/20 0.44
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL19739344 1.00 OPRK1 (0.47) OPRK1CYP2D6OPRM1OPRD1HRH3
SCHEMBL17883719 1.00 OPRK1 (0.47) OPRK1CYP2D6OPRM1OPRD1HRH3
SCHEMBL19753587 0.90 OPRK1 (0.47) OPRK1CYP2D6OPRM1OPRD1HRH3
SCHEMBL9391534 0.87 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL19739155 0.85 OPRK1 (0.46) OPRK1CYP2D6OPRM1OPRD1HRH3
SCHEMBL17883716 0.85 OPRK1 (0.46) OPRK1CYP2D6OPRM1OPRD1HRH3
SCHEMBL9391024 0.80 OPRK1 (0.53) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9389652 0.74 OPRK1 (0.56) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL19591193 0.72 OPRK1 (0.53) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL21469039 0.72 OPRK1 (0.78) OPRK1CYP2D6OPRM1OPRD1

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
EP-3237388-B1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS (US) 2019-07-03 EP disclosed
US-10322107-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the kappa opioid receptor NEKTAR THERAPEUTICS (US) 2019-06-18 US disclosed
US-20170368029-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS 2017-12-28 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 (2 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-20170368029-A1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR OPRK1, OPRM1, OPRD1 OPRK1 1/4885CYP2D6 513/4885OPRM1 2/4885
US-10322107-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the kappa opioid receptor OPRK1, OPRM1, OPRD1 OPRK1 1/4885CYP2D6 513/4885OPRM1 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.