SCHEMBL13633482

SCHEMBL13633482

O=c1c(N2CCN(CCOc3ccc(F)cc3)CC2)nccn1CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.54
DRD2 P14416 4/20 0.54
HTR2A P28223 4/20 0.54
DRD3 P35462 4/20 0.54
DRD1 P21728 2/20 0.54
HRH1 P35367 5/20 0.52
SIGMAR1 Q99720 3/20 0.52
TMEM97 Q5BJF2 2/20 0.52
HTR7 P34969 2/20 0.51
ADRA2C P18825 1/20 0.51
DRD5 P21918 1/20 0.51
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
LTA4H P09960 2/20 0.45
HRH3 Q9Y5N1 3/20 0.45
HRH2 P25021 2/20 0.45
MCHR1 Q99705 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13633465 0.91 HTR1A (0.51) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL13633483 0.88 LTA4H (0.53) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL13633434 0.88 DRD2 (0.52) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL2641037 0.87 AURKA (0.44) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL13633481 0.87 DRD2 (0.48) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL2641162 0.84 HTR1A (0.43) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL13633485 0.83 DRD2 (0.47) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL13633492 0.81 DRD2 (0.45) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL2641132 0.81 HTR2C (0.47) HTR1ASLC6A2SLC6A4LTA4HSLC6A3
SCHEMBL2641223 0.80 HTR1A (0.40) HTR1ADRD2HTR2ADRD3DRD1

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
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-A9 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-03 WO 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 HTR1A 130/4885DRD2 37/4885HTR2A 68/4885

“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.