SCHEMBL6360245

SCHEMBL6360245

CN(C(=O)Cc1ccccc1[N+](=O)[O-])C(CN1CC[C@H](O)C1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.75
CYP2D6 P10635 8/20 0.65
OPRM1 P35372 6/20 0.61
OPRD1 P41143 6/20 0.61

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
SCHEMBL9657563 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9449823 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9657727 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450174 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450167 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450172 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL5630756 0.88 OPRK1 (0.63) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL5629605 0.87 OPRK1 (0.62) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL5629262 0.86 OPRK1 (1.00) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL8459482 0.86 OPRK1 (1.00) 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 20 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-20020042399-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-04-11 US claimed
US-6028063-A ADMINISTERING COMPOUND WITH OPIOID ACTIVITY ADOLOR CORPORATION (US) 2000-02-22 US claimed
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2005-01-27 US disclosed
US-6750216-B2 HETEROCYCLIC AMINES SUCH AS 2-(2-(N-METHYLSULFAMOYL)-4-METHOXY -PHENYL)-N-METHYL-N-((1S)-1-PHENYL-2-((1-PYRROLIDINYL)ETHYL)) ACETAMIDE, ADMINISTERED AS ANALGESICS ADOLOR CORPORATION 2004-06-15 US disclosed
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2003-07-31 US disclosed
US-RE38133-E1 N-Arylalkylenecarbonyl-N-methyl-benzylamine derivatives; analgesics, opioid agonists, antiinflammatory agents ADOLOR CORPORATION 2003-06-03 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-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-01-31 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
US-6180623-B1 USED AS ANALGESICS AND ANTI-PRURITIC AGENTS ADOLOR CORPORATION 2001-01-30 US disclosed
US-6054445-A KAPPA OPIOID AGONIST ACTIVITY; ANALGESICS AND ANTI-PRURITIC AGENTS ADOLOR CORPORATION (US) 2000-04-25 US disclosed
US-6028063-A ADMINISTERING COMPOUND WITH OPIOID ACTIVITY ADOLOR CORPORATION (US) 2000-02-22 US disclosed
US-5981513-A ADMINISTERING ANTI-PRUITIC COMPOUNDS TO PATIENTS ADOLOR CORPORATION (US) 1999-11-09 US disclosed
US-5232978-A 1-(2-arylethyl)-pyrrolidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0483580-A2 1-(2-Arylethyl)-pyrrolidine MERCK PATENT GmbH (DE) 1992-05-06 EP 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 (6 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 1/4885CYP2D6 1292/4885OPRM1 8/4885
US-20020042399-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 843/4885OPRM1 3/4885
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 659/4885OPRM1 3/4885
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
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 541/4885OPRM1 3/4885
US-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 OPRK1 1/4885CYP2D6 1292/4885OPRM1 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.