SCHEMBL6248397

SCHEMBL6248397

CC(C)COC(=O)c1ccc(Cc2ccccc2OCCN2CCC(n3c(CO)nc4ccccc43)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.40
DRD1 P21728 4/20 0.38
DRD5 P21918 4/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR5 P51681 4/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6247347 0.88 HRH1 (0.49) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6249835 0.87 HRH1 (0.40) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6245378 0.85 CNR2 (0.41) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6249456 0.82 CHRM1 (0.54) HRH1DRD1DRD4DRD3DRD2
SCHEMBL6248636 0.82 HRH1 (0.42) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6250109 0.80 DRD2 (0.40) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6249206 0.79 CNR2 (0.40) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6247241 0.79 HRH1 (0.39) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6250588 0.77 OPRL1 (0.39) HRH1DRD1DRD5DRD4LMNA
SCHEMBL6247988 0.76 HRH1 (0.39) HRH1DRD1DRD5DRD4DRD3

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 HRH1 157/4885DRD1 259/4885DRD5 318/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 HRH1 267/4885DRD1 115/4885DRD5 373/4885

“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.