SCHEMBL13633481

SCHEMBL13633481

CSCCn1ccnc(N2CCN(CCOc3ccc(F)cc3)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
DRD3 P35462 6/20 0.48
DRD1 P21728 5/20 0.48
HTR1A P08908 5/20 0.48
HTR2A P28223 5/20 0.48
SIGMAR1 Q99720 2/20 0.46
DRD5 P21918 4/20 0.43
HRH1 P35367 3/20 0.43
ADRA2C P18825 1/20 0.43
HTR7 P34969 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
HRH2 P25021 1/20 0.43
LTA4H P09960 1/20 0.43
MCHR1 Q99705 3/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41

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
SCHEMBL13633434 0.88 DRD2 (0.52) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL13633482 0.87 HTR1A (0.54) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL13633483 0.86 LTA4H (0.53) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL13633465 0.82 HTR1A (0.51) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL13633485 0.80 DRD2 (0.47) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL13633492 0.79 DRD2 (0.45) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL2641162 0.79 HTR1A (0.43) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL13633493 0.77 DRD2 (0.41) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL14232129 0.77 DRD2 (0.41) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL2641223 0.76 HTR1A (0.40) DRD2DRD3DRD1HTR1AHTR2A

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 DRD2 37/4885DRD3 46/4885DRD1 60/4885

“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.