SCHEMBL6248352

SCHEMBL6248352

CCN(CC)C(=O)c1ccc(C(O)c2ccccc2OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 4/20 0.52
PLD1 Q13393 3/20 0.52
DRD2 P14416 4/20 0.49
OPRM1 P35372 4/20 0.49
CYP1A2 P05177 3/20 0.49
ADRB1 P08588 3/20 0.49
CYP2D6 P10635 3/20 0.49
ADRA2B P18089 3/20 0.49
ADRA2C P18825 3/20 0.49
HTR2A P28223 3/20 0.49
SLC6A4 P31645 3/20 0.49
HTR7 P34969 3/20 0.49
ADRA1A P35348 3/20 0.49
HRH1 P35367 3/20 0.49
DRD3 P35462 3/20 0.49
HTR2B P41595 3/20 0.49
HTR6 P50406 3/20 0.49
SLC6A3 Q01959 3/20 0.49
NPC1 O15118 2/20 0.49
USP2 O75604 2/20 0.49

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
SCHEMBL6250247 0.86 PLD2 (0.55) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6250434 0.86 PLD2 (0.55) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6779394 0.85 OPRM1 (0.53) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6249137 0.85 PLD2 (0.53) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6250724 0.84 PLD2 (0.53) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6249241 0.82 OPRM1 (0.58) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6248630 0.81 PLD2 (0.49) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6246361 0.81 OPRM1 (0.55) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6249662 0.80 DRD2 (0.53) PLD2PLD1DRD2OPRM1CYP1A2
SCHEMBL6249127 0.80 PLD2 (0.53) PLD2PLD1DRD2OPRM1CYP1A2

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 PLD2 956/4885PLD1 1680/4885DRD2 114/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 PLD2 945/4885PLD1 1227/4885DRD2 61/4885

“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.