SCHEMBL5500972

SCHEMBL5500972

CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n(-c3ccccc3F)c2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.60
OPRD1 P41143 3/20 0.60
OGFRL1 Q5TC84 3/20 0.60
OPRK1 P41145 2/20 0.49
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
GBA1 P04062 2/20 0.48
MAPT P10636 2/20 0.47
SLC22A12 Q96S37 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
USP2 O75604 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SCN9A Q15858 2/20 0.45
PDE10A Q9Y233 1/20 0.45
SCN5A Q14524 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 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
SCHEMBL16111449 0.81 TP53 (0.61) TP53THRBMAPTUSP2ALDH1A1
SCHEMBL5507606 0.81 OPRM1 (0.48) OPRM1OPRD1OGFRL1OPRK1TP53
SCHEMBL5506316 0.79 OPRM1 (0.51) OPRM1OPRD1OGFRL1OPRK1GBA1
SCHEMBL5238291 0.76 OPRM1 (0.52) OPRM1OPRD1OGFRL1OPRK1GBA1
SCHEMBL24951551 0.76 GBA1 (0.56) OPRM1OPRD1OGFRL1GBA1MAPT
SCHEMBL30819461 0.76 GBA1 (0.56) OPRM1OPRD1OGFRL1GBA1MAPT
SCHEMBL5496623 0.76 OPRM1 (0.53) OPRM1OPRD1OGFRL1OPRK1MAPT
SCHEMBL853237 0.75 OGFRL1 (1.00) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL31143019 0.74 HTR3B (0.57) OPRM1OPRD1OGFRL1GBA1MAPT
SCHEMBL405743 0.74 HTR3B (0.57) OPRM1OPRD1OGFRL1GBA1MAPT

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.