Sugi Predict

Sugi Predict / Compounds / SCHEMBL6249241

SCHEMBL6249241

SCHEMBL6249241

CCN(CC)C(=O)c1ccc(Cc2ccc(OCCN3CCC4(CC3)C(=O)NCN4c3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.58
▸ HTR7 P34969 3/20 0.58
▸ ADRB1 P08588 3/20 0.58
▸ DRD2 P14416 3/20 0.58
▸ ADRA1A P35348 3/20 0.58
▸ HRH1 P35367 3/20 0.58
▸ ADRA1B P35368 3/20 0.58
▸ DRD3 P35462 3/20 0.58
▸ SLC6A3 Q01959 3/20 0.58
▸ SIGMAR1 Q99720 3/20 0.58
▸ OPRK1 P41145 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ HTR1A P08908 2/20 0.58
▸ ADRA2A P08913 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ ADRA2B P18089 2/20 0.58
▸ ADRA2C P18825 2/20 0.58
▸ DRD4 P21917 2/20 0.58
▸ HTR2A P28223 2/20 0.58
▸ SLC6A4 P31645 2/20 0.58

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
SCHEMBL6248572 0.93 OPRK1 (0.53) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6249137 0.90 PLD2 (0.53) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6249414 0.88 OPRM1 (0.50) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6249127 0.86 PLD2 (0.53) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6250247 0.86 PLD2 (0.55) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6250724 0.86 PLD2 (0.53) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6246361 0.86 OPRM1 (0.55) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6249662 0.85 DRD2 (0.53) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6250434 0.85 PLD2 (0.55) OPRM1HTR7ADRB1DRD2ADRA1A
SCHEMBL6247273 0.84 SIGMAR1 (0.52) OPRM1HTR7ADRB1DRD2ADRA1A

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
EP-1256575-B1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA (JP) 2005-08-17 — — EP disclosed
US-6916822-B2 Phenoxyalkylamine derivatives useful as opioid δ receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-12 — — US disclosed
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-07 — — US disclosed
US-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-11 — — US disclosed
EP-1256575-A1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-11-13 — — EP 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-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRD1 OPRM1 1/4885HTR7 160/4885ADRB1 19/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 OPRM1 2/4885HTR7 427/4885ADRB1 21/4885

“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.