SCHEMBL13633483

SCHEMBL13633483

O=c1c(N2CCN(CCOc3ccc(F)cc3)CC2)nccn1CCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
MCHR1 Q99705 3/20 0.51
HTR1A P08908 4/20 0.50
DRD2 P14416 4/20 0.50
HTR2A P28223 4/20 0.50
DRD3 P35462 4/20 0.50
DRD1 P21728 2/20 0.50
HRH3 Q9Y5N1 6/20 0.49
SIGMAR1 Q99720 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH1 P35367 4/20 0.45
ADRA2C P18825 1/20 0.45
DRD5 P21918 1/20 0.45
HTR7 P34969 1/20 0.45
HRH2 P25021 1/20 0.44
PSMB1 P20618 2/20 0.44

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
SCHEMBL13633482 0.88 HTR1A (0.54) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL13633434 0.87 DRD2 (0.52) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL13633481 0.86 DRD2 (0.48) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL13633465 0.84 HTR1A (0.51) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL13633485 0.82 DRD2 (0.47) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL13633492 0.81 DRD2 (0.45) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL2641162 0.81 HTR1A (0.43) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL2641223 0.79 HTR1A (0.40) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL13633493 0.76 DRD2 (0.41) LTA4HMCHR1HTR1ADRD2HTR2A
SCHEMBL14232129 0.76 DRD2 (0.41) LTA4HMCHR1HTR1ADRD2HTR2A

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 LTA4H 3639/4885MCHR1 1814/4885HTR1A 130/4885

“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.