SCHEMBL5468124

SCHEMBL5468124

O=C(Nc1c[nH]c2ncccc12)N(CCCCN1CCN(c2cccc3c2OCC3)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.37
DRD2 P14416 7/20 0.37
HTR2A P28223 4/20 0.37
HTR7 P34969 5/20 0.36
HTR6 P50406 3/20 0.35
ADRA1D P25100 1/20 0.35
HTR1B P28222 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL5474590 0.96 DRD2 (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5470649 0.95 DRD2 (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5462896 0.85 DRD2 (0.44) HTR1ADRD2HTR2AHTR7ADRA1A
SCHEMBL5481441 0.85 DRD2 (0.46) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5461891 0.85 HTR7 (0.39) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5468007 0.84 HTR7 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5481421 0.83 HTR7 (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5473527 0.81 HTR2A (0.44) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5468109 0.81 HTR2A (0.43) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5471292 0.79 DRD2 (0.41) HTR1ADRD2HTR2AHTR7HTR6

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-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US claimed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A HTR1A 3/4885DRD2 64/4885HTR2A 5/4885

“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.