SCHEMBL5496623

SCHEMBL5496623

O=c1c(N2CCNCC2)nc2ccccc2n1-c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ OGFRL1 Q5TC84 1/20 0.53
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ PIK3CD O00329 1/20 0.44
▸ PIK3R1 P27986 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ HTR3A P46098 3/20 0.44
▸ HTR6 P50406 1/20 0.43
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 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
Hydrochloric Acid SCHEMBL5500944 0.99 OPRM1 (0.52) OPRM1OPRD1OPRK1OGFRL1USP2
SCHEMBL5497283 0.86 ADRB1 (0.52) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL5500093 0.86 ADRB1 (0.54) OPRM1OPRD1OPRK1OGFRL1MAPT
Hydrochloric Acid SCHEMBL5500127 0.82 OPRM1 (0.55) OPRM1OPRD1OPRK1OGFRL1USP2
SCHEMBL5495981 0.81 OPRM1 (0.49) OPRM1OPRD1OPRK1OGFRL1USP2
SCHEMBL5496840 0.77 OPRM1 (0.48) OPRM1OPRD1OPRK1OGFRL1USP2
SCHEMBL5236631 0.77 OPRM1 (0.55) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL5500147 0.76 HTR6 (0.42) OPRM1OPRD1OPRK1OGFRL1USP2
Fumaric Acid SCHEMBL5500804 0.76 CYP3A4 (0.46) OPRM1OPRD1OPRK1OGFRL1MAPT
Maleic Acid SCHEMBL5997829 0.76 CYP3A4 (0.46) OPRM1OPRD1OPRK1OGFRL1MAPT

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 53/4885OPRK1 22/4885

“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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