SCHEMBL6249137

SCHEMBL6249137

CCN(CC)C(=O)c1ccc(Cc2ccccc2OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 4/20 0.53
PLD1 Q13393 3/20 0.53
OPRM1 P35372 4/20 0.50
HTR7 P34969 3/20 0.50
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
CYP1A2 P05177 2/20 0.50
ADRB1 P08588 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
CYP2D6 P10635 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
DRD4 P21917 2/20 0.50
HTR2A P28223 2/20 0.50
SLC6A4 P31645 2/20 0.50
ADRA1A P35348 2/20 0.50
HRH1 P35367 2/20 0.50
ADRA1B P35368 2/20 0.50
HTR2B P41595 2/20 0.50

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
SCHEMBL6246361 0.96 OPRM1 (0.55) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6249662 0.95 DRD2 (0.53) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6250724 0.93 PLD2 (0.53) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6248421 0.92 PLD2 (0.55) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6247443 0.92 PLD2 (0.47) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6249414 0.91 OPRM1 (0.50) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6248322 0.90 PLD2 (0.53) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6249241 0.90 OPRM1 (0.58) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6250247 0.89 PLD2 (0.55) PLD2PLD1OPRM1HTR7DRD2
SCHEMBL6249701 0.89 OPRM1 (0.47) PLD2PLD1OPRM1HTR7DRD2

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 1680/4885OPRM1 1/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 PLD2 945/4885PLD1 1227/4885OPRM1 2/4885

“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.