SCHEMBL6350194

SCHEMBL6350194

COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.81
OPRD1 P41143 7/20 0.81
CYP2D6 P10635 6/20 0.72
CYP3A4 P08684 2/20 0.72
TSHR P16473 2/20 0.72
CYP2C19 P33261 2/20 0.72
OPRM1 P35372 7/20 0.65
ALDH1A1 P00352 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
UTS2R Q9UKP6 1/20 0.65

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
SCHEMBL15962446 0.90 OPRK1 (1.00) OPRK1OPRD1CYP2D6CYP3A4TSHR
Hydrochloric Acid SCHEMBL6479980 0.89 OPRK1 (0.98) OPRK1OPRD1CYP2D6CYP3A4TSHR
Hydrochloric Acid SCHEMBL6478265 0.89 OPRK1 (0.98) OPRK1OPRD1CYP2D6CYP3A4TSHR
SCHEMBL6354156 0.86 OPRK1 (0.68) OPRK1OPRD1CYP2D6OPRM1
Hydrochloric Acid SCHEMBL5631699 0.86 OPRK1 (0.67) OPRK1OPRD1CYP2D6OPRM1
SCHEMBL8061920 0.84 OPRK1 (1.00) OPRK1OPRD1CYP2D6CYP3A4TSHR
SCHEMBL8061918 0.84 OPRK1 (1.00) OPRK1OPRD1CYP2D6CYP3A4TSHR
SCHEMBL17570381 0.84 OPRK1 (1.00) OPRK1OPRD1CYP2D6CYP3A4TSHR
SCHEMBL6347072 0.84 OPRK1 (0.72) OPRK1OPRD1CYP2D6CYP3A4TSHR
SCHEMBL17570433 0.83 OPRK1 (0.76) OPRK1OPRD1CYP2D6CYP3A4TSHR

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 27 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-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-6492351-B1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-12-10 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-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-5945443-A Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION (US) 1999-08-31 US 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

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 1/4885OPRD1 2/4885CYP2D6 946/4885
US-20020042399-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885CYP2D6 843/4885
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885CYP2D6 659/4885
US-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885CYP2D6 886/4885
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885CYP2D6 541/4885

“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.