SCHEMBL6492180

SCHEMBL6492180

COc1cc(CC(=O)N(C)C[C@@H](c2ccccc2)N2CC[C@H](O)C2)c(S(=O)(=O)NN2CCCC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.54
OPRD1 P41143 11/20 0.54
OPRM1 P35372 10/20 0.54
TACR1 P25103 5/20 0.42
CCR5 P51681 2/20 0.41
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL6481037 0.87 OPRK1 (0.67) OPRK1OPRD1OPRM1TACR1CCR5
SCHEMBL6526246 0.72 OPRK1 (0.49) OPRK1OPRD1OPRM1TACR1
SCHEMBL8922022 0.72 CCR5 (0.54) OPRK1OPRD1OPRM1TACR1CCR5
SCHEMBL8670577 0.72 CCR5 (0.54) OPRK1OPRD1OPRM1TACR1CCR5
SCHEMBL8438187 0.71 OPRK1 (0.52) OPRK1TACR1CCR5SIGMAR1
SCHEMBL8195719 0.69 TACR1 (0.54) OPRK1TACR1CCR5
SCHEMBL8920395 0.69 TACR1 (0.54) OPRK1TACR1CCR5
SCHEMBL8433573 0.69 SIGMAR1 (0.47) OPRK1TACR1CCR5SIGMAR1
SCHEMBL8717395 0.68 OPRK1 (0.48) OPRK1OPRD1OPRM1TACR1CCR5
SCHEMBL8436169 0.67 TACR1 (0.51) OPRK1TACR1CCR5SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2003-07-31 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885OPRM1 3/4885
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRD1 2/4885OPRM1 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.