SCHEMBL13633475

SCHEMBL13633475

O=c1c(NC2CCN(CCOc3ccccc3)CC2)nccn1-c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.48
KCNH2 Q12809 4/20 0.48
SLC2A1 P11166 1/20 0.48
HRH3 Q9Y5N1 9/20 0.47
LTA4H P09960 3/20 0.44
ACHE P22303 1/20 0.43
KDM1A O60341 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
SCHEMBL13633474 0.87 HTR1A (0.54) MCHR1KCNH2LTA4HKDM1A
SCHEMBL13633427 0.85 HTR1A (0.45) MCHR1KCNH2LTA4HKDM1A
SCHEMBL13633489 0.79 HTR1A (0.46) HRH3LTA4HKDM1A
SCHEMBL13404395 0.78 LMNA (0.44) MCHR1HRH3ACHEKDM1A
SCHEMBL13633466 0.77 HTR1A (0.49) LTA4HKDM1A
SCHEMBL13453003 0.76 MCHR1 (0.51) MCHR1KCNH2
SCHEMBL13452929 0.76 MCHR1 (0.55) MCHR1KCNH2
SCHEMBL13453006 0.76 MCHR1 (0.52) MCHR1KCNH2
SCHEMBL13633425 0.75 LTA4H (0.48) LTA4HKDM1A
SCHEMBL13452930 0.75 MCHR1 (0.49) MCHR1KCNH2

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 MCHR1 1814/4885KCNH2 419/4885SLC2A1 3321/4885

“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.