SCHEMBL5500093

SCHEMBL5500093

O=c1c(N2CCNCC2)nc2ccccc2n1-c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.54
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ OGFRL1 Q5TC84 1/20 0.52
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTR6 P50406 2/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ HTR3A P46098 3/20 0.43
▸ MAPKAPK2 P49137 1/20 0.42
▸ HTR3E A5X5Y0 2/20 0.42

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
Fumaric Acid SCHEMBL5500804 0.88 CYP3A4 (0.46) ADRB1OPRM1OPRD1OPRK1OGFRL1
Maleic Acid SCHEMBL5997829 0.88 CYP3A4 (0.46) ADRB1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5496623 0.86 OPRM1 (0.53) OPRM1OPRD1OPRK1OGFRL1MAPT
SCHEMBL5497283 0.85 ADRB1 (0.52) ADRB1OPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL5500944 0.85 OPRM1 (0.52) OPRM1OPRD1OPRK1OGFRL1MAPT
Hydrochloric Acid SCHEMBL5500127 0.81 OPRM1 (0.55) ADRB1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5236631 0.76 OPRM1 (0.55) OPRM1OPRD1OPRK1OGFRL1MAPT
SCHEMBL5495981 0.75 OPRM1 (0.49) ADRB1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL29446047 0.72 ADRB1 (1.00) ADRB1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL230424 0.72 ADRB1 (1.00) ADRB1CYP1A2CYP3A4CYP2D6MAPT

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 ADRB1 52/4885OPRM1 61/4885OPRD1 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.

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