SCHEMBL6249206

SCHEMBL6249206

CCN(CC)C(=O)c1ccc(Cc2ccccc2OCCN2CCC(n3c(CCO)nc4ccccc43)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.40
BCHE P06276 3/20 0.40
OPRM1 P35372 2/20 0.40
HRH1 P35367 6/20 0.40
OPRL1 P41146 2/20 0.39
OGFRL1 Q5TC84 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ACHE P22303 2/20 0.39
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
CNR1 P21554 5/20 0.38
DRD2 P14416 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL6245378 0.94 CNR2 (0.41) CNR2BCHEOPRM1HRH1OPRL1
SCHEMBL6250009 0.89 MEN1 (0.47) HRH1DRD1DRD4DRD5DRD3
SCHEMBL6247241 0.86 HRH1 (0.39) CNR2BCHEOPRM1HRH1OPRL1
SCHEMBL6247988 0.85 HRH1 (0.39) CNR2BCHEOPRM1HRH1OPRD1
SCHEMBL6245374 0.84 HRH1 (0.39) CNR2BCHEOPRM1HRH1OPRD1
SCHEMBL6247365 0.84 DRD2 (0.52) OPRM1HRH1OPRD1DRD1DRD4
SCHEMBL6247954 0.83 DRD1 (0.39) CNR2BCHEOPRM1HRH1OPRL1
SCHEMBL6250588 0.83 OPRL1 (0.39) OPRM1HRH1OPRL1OGFRL1OPRD1
SCHEMBL6247347 0.83 HRH1 (0.49) OPRM1HRH1OPRL1OGFRL1OPRD1
SCHEMBL6246906 0.82 CYP3A4 (0.44) HRH1DRD1DRD4DRD5DRD3

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 CNR2 9/4885BCHE 659/4885OPRM1 1/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 CNR2 19/4885BCHE 648/4885OPRM1 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.