SCHEMBL13633487

SCHEMBL13633487

CC(C)(C)OC(=O)NCc1ccc(Cn2ccnc(N3CCN(CCOc4ccc(F)cc4)CC3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
HTR1A P08908 7/20 0.43
HTR6 P50406 7/20 0.43
HTR7 P34969 6/20 0.43
FAAH O00519 1/20 0.40
HTR2A P28223 2/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 1/20 0.38
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL13633493 0.84 DRD2 (0.41) DRD2HTR1AHTR6HTR7HTR2A
SCHEMBL14232129 0.82 DRD2 (0.41) DRD2HTR1AHTR6HTR7HTR2A
SCHEMBL13633485 0.81 DRD2 (0.47) DRD2HTR1AHTR6HTR7HTR2A
SCHEMBL13633465 0.81 HTR1A (0.51) DRD2HTR1AHTR7HTR2ADRD1
SCHEMBL13633434 0.77 DRD2 (0.52) DRD2HTR1AHTR7HTR2ADRD1
SCHEMBL13633492 0.75 DRD2 (0.45) DRD2HTR1AHTR7HTR2ADRD1
SCHEMBL13633482 0.75 HTR1A (0.54) DRD2HTR1AHTR7HTR2ADRD1
SCHEMBL13633481 0.74 DRD2 (0.48) DRD2HTR1AHTR7HTR2ADRD1
SCHEMBL13633483 0.74 LTA4H (0.53) DRD2HTR1AHTR7HTR2ADRD1
SCHEMBL1444314 0.69 HPGD (0.59) FAAHLMNA

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
US-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2009-11-12 US disclosed
US-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2009-11-12 US disclosed
WO-2007135131-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 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 (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-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 DRD2 37/4885HTR1A 130/4885HTR6 531/4885

“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.