SCHEMBL5498080

SCHEMBL5498080

Cc1ccc2nc(N3CCNCC3)c(=O)n(-c3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.48
USP2 O75604 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OGFRL1 Q5TC84 1/20 0.45
ADRB1 P08588 3/20 0.45
KDR P35968 1/20 0.44
HTR6 P50406 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL5504036 0.86 CYP1A2 (0.48) MAPTALDH1A1USP2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5500127 0.84 OPRM1 (0.55) ALDH1A1USP2CYP1A2CYP3A4CASP1
Fumaric Acid SCHEMBL5506467 0.80 CYP3A4 (0.49) ALDH1A1USP2CYP1A2CYP3A4CASP1
Maleic Acid SCHEMBL5997356 0.80 CYP3A4 (0.49) ALDH1A1USP2CYP1A2CYP3A4CASP1
Maleic Acid SCHEMBL5998881 0.79 CYP3A4 (0.46) ALDH1A1USP2CYP1A2CYP3A4CASP1
Fumaric Acid SCHEMBL5495905 0.79 CYP3A4 (0.46) ALDH1A1USP2CYP1A2CYP3A4CASP1
SCHEMBL5501600 0.79 CYP1A2 (0.48) ALDH1A1USP2CYP1A2CYP3A4CASP1
SCHEMBL5497991 0.77 CYP1A2 (0.46) ALDH1A1USP2CYP1A2CYP3A4CASP1
SCHEMBL5495981 0.75 OPRM1 (0.49) ALDH1A1USP2CYP1A2CYP3A4CASP1
SCHEMBL5496840 0.74 OPRM1 (0.48) ALDH1A1USP2CYP1A2CYP3A4CASP1

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 MAPT 837/4885ALDH1A1 612/4885USP2 3326/4885

“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.