SCHEMBL13633473

SCHEMBL13633473

Clc1nccnc1NC1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.54
HTR7 P34969 11/20 0.54
KDM1A O60341 3/20 0.52
SIGMAR1 Q99720 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
LTA4H P09960 2/20 0.48
DRD2 P14416 2/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL3138352 0.81 ACHE (0.59) HTR1ADRD2
SCHEMBL13633424 0.80 HTR1A (0.52) HTR1AHTR7KDM1ASIGMAR1TMEM97
SCHEMBL5140764 0.77 HTR1A (0.47) HTR1AHTR7KDM1ASIGMAR1TMEM97
SCHEMBL13633466 0.77 HTR1A (0.49) HTR1AHTR7KDM1ASIGMAR1TMEM97
SCHEMBL12786110 0.77 KDM1A (0.47) KDM1A
SCHEMBL13633489 0.76 HTR1A (0.46) HTR1AHTR7KDM1ASIGMAR1TMEM97
SCHEMBL13633425 0.76 LTA4H (0.48) HTR1AHTR7KDM1ALTA4HDRD2
SCHEMBL13633427 0.75 HTR1A (0.45) HTR1AHTR7KDM1ALTA4HDRD2
SCHEMBL4313437 0.74 GRIN2B (0.58)
SCHEMBL13633474 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 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.