SCHEMBL5629262

SCHEMBL5629262

CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](CN1CCCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 1.00
CYP2D6 P10635 6/20 0.70
CYP3A4 P08684 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
OPRD1 P41143 3/20 0.65
OPRM1 P35372 3/20 0.65
SIGMAR1 Q99720 1/20 0.62

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
SCHEMBL8459482 1.00 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL10434997 0.93 OPRK1 (0.86) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL10434613 0.90 OPRK1 (0.82) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL5630305 0.90 OPRK1 (0.82) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL7985237 0.88 OPRK1 (0.78) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6479796 0.88 OPRK1 (0.78) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6479790 0.88 OPRK1 (0.78) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL5629630 0.87 OPRK1 (0.77) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL10434844 0.87 OPRK1 (0.76) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6360245 0.86 OPRK1 (0.75) OPRK1CYP2D6OPRD1OPRM1

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 35 patents — showing the first 20. 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-20030236248-A1 Kappa agonist compounds and pharmaceutical formulations thereof KRUSE LAWRENCE I (US) 2003-12-25 US claimed
US-RE38133-E1 N-Arylalkylenecarbonyl-N-methyl-benzylamine derivatives; analgesics, opioid agonists, antiinflammatory agents ADOLOR CORPORATION 2003-06-03 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
JP-2001510154-A 2001-07-31 JP claimed
EP-0998281-A1 KAPPA AGONIST COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND METHOD OF PREVENTION AND TREATMENT OF PRURITUS THEREWITH Adolor Corporation (US) 2000-05-10 EP claimed
US-6028063-A ADMINISTERING COMPOUND WITH OPIOID ACTIVITY ADOLOR CORPORATION (US) 2000-02-22 US claimed
WO-1999003468-A1 KAPPA AGONIST COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND METHOD OF PREVENTION AND TREATMENT OF PRURITUS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 WO claimed
US-7294647-B2 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION (US) 2007-11-13 US disclosed
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
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2005-01-27 US disclosed
US-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2004-11-04 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-6028063-A ADMINISTERING COMPOUND WITH OPIOID ACTIVITY ADOLOR CORPORATION (US) 2000-02-22 US disclosed
US-5945443-A Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION (US) 1999-08-31 US disclosed
WO-1999003468-A1 KAPPA AGONIST COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND METHOD OF PREVENTION AND TREATMENT OF PRURITUS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 WO disclosed
US-5763445-A Kappa agonist compounds pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION (US) 1998-06-09 US disclosed
US-5744458-A ANALGESICS ADOLOR CORPORATION (US) 1998-04-28 US disclosed
US-5688955-A ANALGESICS ADOLOR CORPORATION (US) 1997-11-18 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 (4 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-20030236248-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 946/4885CYP3A4 798/4885
US-20020042399-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 843/4885CYP3A4 695/4885
US-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 886/4885CYP3A4 737/4885
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 541/4885CYP3A4 304/4885

“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.