SCHEMBL5496840

SCHEMBL5496840

O=c1c(N2CCCNCC2)nc2ccccc2n1-c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRD1 P41143 1/20 0.48
OGFRL1 Q5TC84 1/20 0.48
HTR6 P50406 4/20 0.44
HTR3A P46098 3/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HTR7 P34969 2/20 0.44
HTR2B P41595 2/20 0.44
HTR1D P28221 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1B P28222 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
SCHEMBL5495981 0.96 OPRM1 (0.49) OPRM1OPRK1OPRD1OGFRL1HTR6
SCHEMBL5497991 0.86 CYP1A2 (0.46) OPRM1OPRK1OPRD1OGFRL1HTR6
SCHEMBL5504036 0.83 CYP1A2 (0.48) OPRM1OPRK1OPRD1OGFRL1HTR6
Hydrochloric Acid SCHEMBL5500127 0.81 OPRM1 (0.55) OPRM1OPRK1OPRD1OGFRL1HTR6
SCHEMBL5501600 0.81 CYP1A2 (0.48) OPRM1OPRK1OPRD1OGFRL1HTR6
SCHEMBL5496623 0.77 OPRM1 (0.53) OPRM1OPRK1OPRD1OGFRL1HTR6
Hydrochloric Acid SCHEMBL5500944 0.76 OPRM1 (0.52) OPRM1OPRK1OPRD1OGFRL1HTR6
Fumaric Acid SCHEMBL5495905 0.75 CYP3A4 (0.46) OPRM1OPRK1OPRD1OGFRL1HTR6
Maleic Acid SCHEMBL5998881 0.75 CYP3A4 (0.46) OPRM1OPRK1OPRD1OGFRL1HTR6
SCHEMBL5498080 0.74 MAPT (0.49) OPRM1OPRK1OPRD1OGFRL1HTR6

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 6 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 claimed
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 claimed
US-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY, LLC 2006-02-09 US claimed
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 61/4885OPRK1 22/4885OPRD1 53/4885

“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.