SCHEMBL13633474

SCHEMBL13633474

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.54
HTR7 P34969 15/20 0.54
KDM1A O60341 2/20 0.48
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
LTA4H P09960 2/20 0.43
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL13633427 0.89 HTR1A (0.45) HTR1AHTR7KDM1AKCNH2MCHR1
SCHEMBL13633475 0.87 MCHR1 (0.48) KDM1AKCNH2MCHR1LTA4H
SCHEMBL13633466 0.81 HTR1A (0.49) HTR1AHTR7KDM1ALTA4HDRD2
SCHEMBL13633480 0.79 TSHR (0.42)
SCHEMBL13633425 0.79 LTA4H (0.48) HTR1AHTR7KDM1ALTA4HDRD2
SCHEMBL13633489 0.77 HTR1A (0.46) HTR1AHTR7KDM1ALTA4HDRD2
SCHEMBL13633479 0.77 KCNA5 (0.47) HTR1AHTR7KDM1ALTA4H
SCHEMBL13633428 0.77 LTA4H (0.48) HTR1AHTR7KDM1ALTA4HDRD2
SCHEMBL13633424 0.75 HTR1A (0.52) HTR1AHTR7KDM1AKCNH2LTA4H
SCHEMBL13633473 0.74 HTR1A (0.54) HTR1AHTR7KDM1ALTA4HDRD2

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 2 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

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.