SCHEMBL6480095

SCHEMBL6480095

C[C@@H]1[C@H](CN2CCCC2)N(C(=O)Cc2ccccc2N)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.48
OPRK1 P41145 4/20 0.44

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
SCHEMBL6487844 0.83 SIGMAR1 (0.49) UTS2ROPRK1
SCHEMBL6619026 0.83 SIGMAR1 (0.49) UTS2ROPRK1
Hydrochloric Acid SCHEMBL6617723 0.82 OPRD1 (0.42) UTS2ROPRK1
Hydrochloric Acid SCHEMBL6478836 0.82 OPRD1 (0.42) UTS2ROPRK1
Hydrochloric Acid SCHEMBL8438294 0.81 OPRK1 (0.40) UTS2ROPRK1
Hydrochloric Acid SCHEMBL8096349 0.80 UTS2R (0.54) UTS2R
Hydrochloric Acid SCHEMBL5631193 0.77 OPRK1 (0.55) OPRK1
SCHEMBL6490158 0.75 OPRK1 (0.60) OPRK1
SCHEMBL6490161 0.75 OPRK1 (0.60) OPRK1
SCHEMBL7921100 0.75 OPRK1 (0.68) UTS2ROPRK1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2005-01-27 US disclosed
EP-1112252-A4 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF ADOLOR CORP (US) 2004-07-14 EP 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-6476063-B2 DEVOID OF CENTRAL NERVOUS SYSTEM EFFECTS; TOPICAL AND SYSTEMIC ADMINISTRATION; ANTIPRURITIC AGEENTS; ANALGESICS 1-ARYLMETHYLCARBONYL-2-PYRROLIDIN-1-YL-PIPERAZINES ADOLOR CORPORATION 2002-11-05 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
EP-1112252-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF Adolor Corporation (US) 2001-07-04 EP disclosed
US-6239154-B1 ARYLACETAMIDES, AGONISTS AT KAPPA OPIOID RECEPTORS. ADOLOR CORPORATION 2001-05-29 US disclosed
US-6057323-A PIPERAZINE DERIVATIVES ADOLOR CORPORATION (US) 2000-05-02 US disclosed
US-6054445-A KAPPA OPIOID AGONIST ACTIVITY; ANALGESICS AND ANTI-PRURITIC AGENTS ADOLOR CORPORATION (US) 2000-04-25 US disclosed
WO-2000014065-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF ADOLOR CORPORATION (US) 2000-03-16 WO 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-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 UTS2R 206/4885OPRK1 1/4885
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 UTS2R 540/4885OPRK1 1/4885
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 UTS2R 491/4885OPRK1 1/4885
US-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 UTS2R 206/4885OPRK1 1/4885

“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.