SCHEMBL5629670

SCHEMBL5629670

CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NN(C)S(C)(=O)=O)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.74
ALDH1A1 P00352 3/20 0.69
OPRM1 P35372 2/20 0.69
OPRK1 P41145 2/20 0.69
TP53 P04637 2/20 0.69
CYP3A4 P08684 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
UTS2R Q9UKP6 1/20 0.69
MAPT P10636 2/20 0.66
MEN1 O00255 1/20 0.66
RECQL P46063 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.66

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
SCHEMBL21468948 0.91 OPRD1 (0.78) OPRD1ALDH1A1OPRM1OPRK1TP53
SCHEMBL16379669 0.91 OPRD1 (0.78) OPRD1ALDH1A1OPRM1OPRK1TP53
Hydrochloric Acid SCHEMBL6477965 0.90 OPRD1 (0.79) OPRD1ALDH1A1OPRM1OPRK1TP53
Hydrochloric Acid SCHEMBL6477959 0.90 OPRD1 (0.79) OPRD1ALDH1A1OPRM1OPRK1TP53
Hydrochloric Acid SCHEMBL6526583 0.87 OPRD1 (0.78) OPRD1ALDH1A1OPRM1OPRK1TP53
Hydrochloric Acid SCHEMBL9510155 0.87 OPRD1 (0.83) OPRD1ALDH1A1OPRM1OPRK1TP53
Hydrochloric Acid SCHEMBL9510148 0.87 OPRD1 (0.83) OPRD1ALDH1A1OPRM1OPRK1TP53
Hydrochloric Acid SCHEMBL9510101 0.85 OPRD1 (1.00) OPRD1ALDH1A1OPRM1OPRK1TP53
Hydrochloric Acid SCHEMBL9510105 0.85 OPRD1 (1.00) OPRD1ALDH1A1OPRM1OPRK1TP53
SCHEMBL19739359 0.84 OPRD1 (0.71) OPRD1ALDH1A1OPRM1OPRK1TP53

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 25 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-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-20020042399-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-04-11 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-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
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

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 OPRD1 2/4885ALDH1A1 3668/4885OPRM1 3/4885
US-20020042399-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRD1 2/4885ALDH1A1 3378/4885OPRM1 3/4885
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRD1 2/4885ALDH1A1 2829/4885OPRM1 3/4885
US-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 OPRD1 2/4885ALDH1A1 3340/4885OPRM1 3/4885
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRD1 2/4885ALDH1A1 3020/4885OPRM1 3/4885

“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.