SCHEMBL13633424

SCHEMBL13633424

O=c1[nH]ccnc1NC1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.52
HTR7 P34969 12/20 0.52
KDM1A O60341 1/20 0.48
BRD4 O60885 1/20 0.48
ATAD2 Q6PL18 1/20 0.48
DRD2 P14416 2/20 0.47
HTR6 P50406 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CHRM1 P11229 1/20 0.46
KCNH2 Q12809 1/20 0.46
LTA4H P09960 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL13404378 0.84 SIGMAR1 (0.49) SIGMAR1KCNH2
SCHEMBL13404416 0.83 DNMT3A (0.50) KDM1ABRD4ATAD2SIGMAR1KCNH2
SCHEMBL3138592 0.82 JAK1 (0.56) DRD2SIGMAR1
SCHEMBL13404392 0.81 NPC1 (0.56)
SCHEMBL13404385 0.80 JAK1 (0.41) BRD4ATAD2KCNH2
SCHEMBL13633473 0.80 HTR1A (0.54) HTR1AHTR7KDM1ADRD2HTR6
SCHEMBL13404371 0.78 JAK1 (0.50)
SCHEMBL13633466 0.78 HTR1A (0.49) HTR1AHTR7KDM1ABRD4ATAD2
SCHEMBL13306944 0.77 MCHR1 (0.51) KCNH2CHRM3
SCHEMBL13452931 0.77 MCHR1 (0.55) SIGMAR1KCNH2

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 130/4885HTR7 388/4885KDM1A 3474/4885

“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.