SCHEMBL5506316

SCHEMBL5506316

CC(C)(C)OC(=O)N1CCN(c2nc3cc(F)ccc3n(-c3ccccc3)c2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OGFRL1 Q5TC84 2/20 0.51
GBA1 P04062 2/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
IDO2 Q6ZQW0 1/20 0.45
KIT P10721 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
ACHE P22303 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PLK1 P53350 1/20 0.42
GRIA1 P42261 1/20 0.42
PDK2 Q15119 1/20 0.41
PIK3CA P42336 1/20 0.41
TLR9 Q9NR96 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
SCHEMBL5507606 0.88 OPRM1 (0.48) OPRM1OPRD1OGFRL1GBA1IDO1
SCHEMBL5500972 0.79 OPRM1 (0.60) OPRM1OPRD1OGFRL1GBA1CKS1B
SCHEMBL5501600 0.77 CYP1A2 (0.48) OPRM1OPRD1OGFRL1IDO1TDO2
SCHEMBL31419819 0.76 ALDH1A1 (0.53) GBA1GRIA1
SCHEMBL5497991 0.74 CYP1A2 (0.46) OPRM1OPRD1OGFRL1IDO1TDO2
SCHEMBL2386747 0.73 GPR119 (0.59) GPR119PDK2
SCHEMBL16415901 0.73 TLR9 (0.46) OPRM1OPRD1OGFRL1GBA1IDO1
SCHEMBL1458887 0.72 GPR119 (0.76) GPR119CKS1BSKP1SKP2PDK2
SCHEMBL21451005 0.72 GBA1 (0.49) OPRM1OPRD1OGFRL1GBA1IDO1
SCHEMBL20898197 0.72 MGLL (0.53)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789050-A1 NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-05-30 EP disclosed
WO-2006016278-A1 NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2006-02-16 WO disclosed
US-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY, LLC 2006-02-09 US 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 (1 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-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 OPRM1 61/4885OPRD1 53/4885OGFRL1 950/4885

“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.