SCHEMBL6246741

SCHEMBL6246741

O=CCC1C(=O)Nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.60
GSK3B P49841 2/20 0.54
TDO2 P48775 3/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EGFR P00533 1/20 0.45
HTR7 P34969 1/20 0.43
ATM Q13315 1/20 0.42
BRPF1 P55201 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL1455790 0.84 IDO1 (0.58) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL10770294 0.81 IDO1 (0.59) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL28676304 0.80 IDO1 (0.54) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL30297086 0.80 IDO1 (0.54) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL1542794 0.79 IDO1 (0.77) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL9159527 0.78 IDO1 (0.64) IDO1GSK3BTDO2MAPTKDM4E
Hydrochloric Acid SCHEMBL7419440 0.78 IDO1 (0.74) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL1461848 0.78 IDO1 (0.64) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL2693278 0.78 IDO1 (0.64) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL29437202 0.77 EGFR (0.69) IDO1GSK3BTDO2MAPTKDM4E

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 IDO1 2837/4885GSK3B 2512/4885TDO2 4139/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 IDO1 3580/4885GSK3B 1233/4885TDO2 4416/4885

“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.