SCHEMBL6246739

SCHEMBL6246739

CCN(CC)C(=O)c1ccc(Cc2ccccc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.56
HSP90AB1 P08238 5/20 0.56
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 2/20 0.55
KEAP1 Q14145 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MLYCD O95822 1/20 0.46
CYP1A2 P05177 1/20 0.46
BLM P54132 1/20 0.46
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL8637118 0.84 ALDH1A1 (0.61) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL4577082 0.82 HPGD (0.69) ALDH1A1HPGDMAPTL3MBTL1MEN1
SCHEMBL6247380 0.81 LPAR1 (0.56) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL4813650 0.79 KEAP1 (0.50) KEAP1MEN1KMT2AHDAC1HDAC6
SCHEMBL6246721 0.79 ALDH1A1 (0.53) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL4811057 0.79 LMNA (0.65) ALDH1A1MAPTKEAP1L3MBTL1KMT2A
SCHEMBL6797808 0.78 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL2048377 0.78 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL6248551 0.77 TSHR (0.69) ALDH1A1KEAP1LMNA
SCHEMBL6250344 0.76 ALDH1A1 (0.53) ALDH1A1HPGDMAPTL3MBTL1MEN1

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 HSP90AA1 1823/4885HSP90AB1 1687/4885ALDH1A1 2141/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 HSP90AA1 2542/4885HSP90AB1 2140/4885ALDH1A1 1810/4885

“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.