SCHEMBL6249088

SCHEMBL6249088

Cn1c(=O)n(C2CCN(OC(=O)C(F)(F)F)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
CTSS P25774 13/20 0.48
CYP3A4 P08684 1/20 0.46
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL6245314 0.81 OPRL1 (0.48) OPRM1OPRL1
SCHEMBL6246601 0.81 C5AR1 (0.58) CYP3A4
SCHEMBL4446744 0.79 DRD2 (0.43) HSD11B1CTSS
SCHEMBL6160925 0.78 HSD11B1 (0.56) HSD11B1CYP3A4TNKSPARP1PARP2
SCHEMBL23937829 0.77 DDB1 (0.56) HSD11B1CTSSCYP3A4DDB1CRBN
Trifluoroacetic Acid SCHEMBL6249083 0.77 CTSS (0.45) HSD11B1CTSSCYP3A4TNKSPARP1
SCHEMBL6248615 0.76 LMNA (0.56) OPRM1
SCHEMBL12893497 0.73 HSD11B1 (0.50) HSD11B1CTSSCYP3A4TNKSPARP1
SCHEMBL20861040 0.72 PIK3CA (0.53) HSD11B1OPRM1OPRL1DDB1CRBN
SCHEMBL14186021 0.72 DRD2 (0.57) HSD11B1CTSSCYP3A4OPRM1OPRL1

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 HSD11B1 2154/4885CTSS 2849/4885CYP3A4 1920/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 HSD11B1 1115/4885CTSS 3202/4885CYP3A4 1017/4885

“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.