SCHEMBL4680498

SCHEMBL4680498

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
CNR1 P21554 6/20 0.42
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 1/20 0.38
CTSA P10619 2/20 0.37
HDAC4 P56524 1/20 0.37
DHODH Q02127 1/20 0.37
SELPLG Q14242 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 0.86 CNR1 (0.44) CNR1CNR2CTSAHDAC4
SCHEMBL4679252 0.85 HTT (0.44) HTTCNR1TAS1R3TAS1R1TAS1R2
SCHEMBL27655845 0.85 HTT (0.44) HTTCNR1TAS1R3TAS1R1TAS1R2
SCHEMBL4682587 0.83 HTT (0.55) HTTCNR1TAS1R3TAS1R1TAS1R2
SCHEMBL5463864 0.82 PHGDH (0.45) CTSA
SCHEMBL5483533 0.81 CNR2 (0.46) CNR1CNR2CTSA
SCHEMBL5754645 0.81 GABRA5 (0.43) CNR1CNR2
SCHEMBL5458659 0.81 GABRA5 (0.45) CNR1CNR2
SCHEMBL5483536 0.80 CNR1 (0.41) CNR1ALDH1A1CNR2
SCHEMBL4684369 0.80 CNR1 (0.53) CNR1ALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP claimed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US claimed
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide 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-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH HTT 743/4885CNR1 2/4885TAS1R3 598/4885

“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.