SCHEMBL6478584

SCHEMBL6478584

CN(C(=O)Cc1ccccc1N)[C@@H](CN1CCCC1)c1cccc(N)c1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.82
OPRD1 P41143 5/20 0.68
CYP2D6 P10635 5/20 0.66
OPRM1 P35372 2/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL5631924 1.00 OPRK1 (0.82) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL17870633 0.90 OPRK1 (1.00) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL5631993 0.90 OPRK1 (1.00) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL6480069 0.88 OPRK1 (0.76) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL6479482 0.88 OPRK1 (0.76) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL7722061 0.88 OPRK1 (0.76) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL10434633 0.84 OPRK1 (0.84) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL10434975 0.84 OPRK1 (0.79) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL19753586 0.83 OPRK1 (0.79) OPRK1OPRD1CYP2D6OPRM1CYP3A4
SCHEMBL21469082 0.83 OPRK1 (0.67) OPRK1OPRD1CYP2D6OPRM1CYP3A4

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-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-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-6391910-B1 OPIOID ANTAGONIST; ANALGESIC ADOLOR CORPORATION 2002-05-21 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 2/4885CYP2D6 659/4885
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.