SCHEMBL5629451

SCHEMBL5629451

CN(C(=O)Cc1ccc(N)cc1)[C@H](CN1CCCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.79
CYP2D6 P10635 3/20 0.63
OPRD1 P41143 4/20 0.62
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
OPRM1 P35372 1/20 0.57

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
SCHEMBL19753585 0.91 OPRK1 (0.80) OPRK1CYP2D6OPRD1CYP3A4TSHR
SCHEMBL5631745 0.89 OPRK1 (0.76) OPRK1CYP2D6OPRD1CYP3A4TSHR
SCHEMBL17873644 0.88 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17873646 0.88 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL21119745 0.87 OPRK1 (0.75) OPRK1CYP2D6OPRD1CYP3A4TSHR
SCHEMBL8692987 0.87 OPRK1 (0.75) OPRK1CYP2D6OPRD1CYP3A4TSHR
SCHEMBL5631204 0.85 OPRK1 (1.00) OPRK1CYP2D6OPRD1CYP3A4TSHR
SCHEMBL6615723 0.85 OPRK1 (1.00) OPRK1CYP2D6OPRD1CYP3A4TSHR
SCHEMBL5630038 0.84 OPRK1 (1.00) OPRK1CYP2D6OPRD1CYP3A4TSHR
SCHEMBL5631232 0.84 OPRK1 (1.00) OPRK1CYP2D6OPRD1CYP3A4TSHR

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 34 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
US-6028063-A ADMINISTERING COMPOUND WITH OPIOID ACTIVITY ADOLOR CORPORATION (US) 2000-02-22 US 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-20030236248-A1 Kappa agonist compounds and pharmaceutical formulations thereof KRUSE LAWRENCE I (US) 2003-12-25 US disclosed
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2003-07-31 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-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 (5 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 946/4885OPRD1 2/4885
US-20020042399-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 843/4885OPRD1 2/4885
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 659/4885OPRD1 2/4885
US-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 886/4885OPRD1 2/4885
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885CYP2D6 541/4885OPRD1 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.