SCHEMBL4456100

SCHEMBL4456100

O=C(NC1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 1.00
TRPV1 Q8NER1 1/20 0.49
ACKR3 P25106 1/20 0.47

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
SCHEMBL7260014 0.95 CNR1 (0.91) CNR1TRPV1ACKR3
SCHEMBL4457218 0.88 CNR1 (1.00) CNR1
SCHEMBL4455038 0.88 CNR1 (1.00) CNR1
SCHEMBL4452937 0.87 CNR1 (0.77) CNR1
SCHEMBL4457176 0.84 CNR1 (1.00) CNR1
SCHEMBL7260024 0.83 CNR1 (0.91) CNR1
SCHEMBL7259997 0.81 CNR1 (0.92) CNR1
SCHEMBL5159918 0.80 CNR1 (0.66) CNR1TRPV1
SCHEMBL4461228 0.78 CNR1 (1.00) CNR1
SCHEMBL19496629 0.77 CNR1 (0.62) CNR1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473693-B2 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2009-01-06 US claimed
EP-1592451-B1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-7342019-B2 5, 6-diaryl-pyrazine-2-amide derivatives as CB1 antagonists ASTRAZENECA AB (SE) 2008-03-11 US claimed
EP-1458690-B1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-21 EP claimed
US-20060134146-A1 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2006-06-22 US claimed
EP-1592451-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND AstraZeneca AB (SE) 2005-11-09 EP claimed
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists ASTRAZENECA AB (SE) 2005-02-10 US claimed
EP-1458690-A1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS Astrazeneca AB (SE) 2004-09-22 EP claimed
WO-2004069277-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2003051850-A1 PYRAZINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-06-26 WO claimed
WO-2003051851-A1 5, 6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-06-26 WO claimed
US-7473693-B2 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2009-01-06 US disclosed
EP-1592451-B1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-7342019-B2 5, 6-diaryl-pyrazine-2-amide derivatives as CB1 antagonists ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1458690-B1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists ASTRAZENECA AB (SE) 2005-02-10 US disclosed
EP-1458690-A1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS Astrazeneca AB (SE) 2004-09-22 EP disclosed
WO-2004069277-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2003051850-A1 PYRAZINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
WO-2003051851-A1 5, 6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-06-26 WO 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 (2 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-20060134146-A1 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound SKP1, SPOP, ABCG2 CNR1 4128/4885TRPV1 2896/4885ACKR3 4691/4885
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists CNR1, CNR2, GPR18 CNR1 1/4885TRPV1 51/4885ACKR3 296/4885

“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.