SCHEMBL5458659

SCHEMBL5458659

CC(C)(CO)NC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.45
CNR2 P34972 7/20 0.42
CNR1 P21554 6/20 0.42
KIF18A Q8NI77 1/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4678614 0.83 CNR1 (0.44) GABRA5CNR2CNR1
SCHEMBL5483536 0.81 CNR1 (0.41) CNR2CNR1NPC1RAB9A
SCHEMBL4680498 0.81 HTT (0.48) CNR2CNR1
SCHEMBL4677223 0.80 CNR1 (0.44) GABRA5CNR2CNR1NPC1RAB9A
SCHEMBL5754645 0.80 GABRA5 (0.43) GABRA5CNR2CNR1
SCHEMBL5483533 0.80 CNR2 (0.46) CNR2CNR1KMT2ANPC1RAB9A
SCHEMBL4684369 0.79 CNR1 (0.53) CNR2CNR1
SCHEMBL5463864 0.78 PHGDH (0.45)
SCHEMBL5452834 0.78 CNR1 (0.39) CNR2CNR1
SCHEMBL4681440 0.76 CNR1 (0.56) CNR2CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 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-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators CNR2, CNR1, HTR2C GABRA5 71/4885CNR2 1/4885CNR1 2/4885

“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.