SCHEMBL6249352

SCHEMBL6249352

O=C1COc2ccccc2N1C1CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
CTSS P25774 9/20 0.46
CD74 P04233 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.39
OXTR P30559 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL27579498 0.90 SCN1A (0.48) SCN1ASCN5ASCN9ACTSSCD74
SCHEMBL6250611 0.81 OPRM1 (0.56)
SCHEMBL4714933 0.79 CTSS (0.53) SCN1ASCN5ASCN9ACTSSMEN1
SCHEMBL31290018 0.78 NOTUM (0.50) SCN1ASCN5ASCN9ACTSSMEN1
Trifluoroacetic Acid SCHEMBL6249351 0.78 CACNA1B (0.45) SCN1ASCN5ASCN9ACTSSCD74
SCHEMBL6247970 0.76 OXTR (0.49) CTSSCD74OXTR
SCHEMBL7346980 0.76 OPRM1 (0.50) SCN1ASCN5ASCN9ACTSSMEN1
SCHEMBL11009319 0.75 OPRM1 (0.52) SCN1ASCN5ASCN9ACTSSMEN1
SCHEMBL6249272 0.73 TNKS (0.41) MEN1KMT2ALMNAALDH1A1
SCHEMBL4717172 0.72 NOTUM (0.44) SCN1ASCN5ASCN9ACTSSMEN1

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 SCN1A 337/4885SCN5A 303/4885SCN9A 393/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 SCN1A 174/4885SCN5A 303/4885SCN9A 175/4885

“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.