SCHEMBL5500147

SCHEMBL5500147

O=c1c(N2CCNCC2)nc2cc(F)ccc2n1-c1c(F)cccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
HTR2C P28335 2/20 0.42
HTR1D P28221 1/20 0.42
HTR3A P46098 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL5501600 0.85 CYP1A2 (0.48) HTR6HTR2CHTR1DHTR3AHTR3E
SCHEMBL5497991 0.81 CYP1A2 (0.46) HTR6HTR2CHTR1DHTR3AHTR3E
SCHEMBL5507606 0.78 OPRM1 (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5495981 0.77 OPRM1 (0.49) HTR6HTR2CHTR1DHTR3AHTR3E
SCHEMBL5501158 0.76 MAPK14 (0.40) KCNH2ALDH1A1
SCHEMBL5496623 0.76 OPRM1 (0.53) HTR6HTR2CHTR3AHTR3EHTR3B
SCHEMBL5504036 0.75 CYP1A2 (0.48) HTR6HTR2CHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL5500944 0.75 OPRM1 (0.52) HTR6HTR2CHTR3AHTR3EHTR3B
SCHEMBL5496840 0.73 OPRM1 (0.48) HTR6HTR2CHTR1DHTR3AOPRM1
SCHEMBL194667 0.68 SOS1 (0.54) HTR3A

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 HTR6 71/4885HTR2C 34/4885HTR1D 55/4885

“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.