SCHEMBL5474584

SCHEMBL5474584

NC(=O)N(CCCCN1CCN(c2cccc3c2OCCC3)CC1)c1cn(S(=O)(=O)c2ccccc2)c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.42
DRD2 P14416 10/20 0.41
HTR1A P08908 6/20 0.41
HTR2A P28223 6/20 0.41
HTR7 P34969 3/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACHE P22303 3/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL5470644 0.98 HTR6 (0.41) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL5481408 0.97 HTR6 (0.43) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL5473526 0.85 HTR1A (0.43) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL5462893 0.84 HTR6 (0.46) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL5481440 0.84 DRD2 (0.46) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL5369212 0.83 DRD2 (0.44) HTR6DRD2HTR1AHTR2ADRD4
SCHEMBL5468106 0.83 DRD2 (0.42) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL5468004 0.82 HTR7 (0.51) HTR6DRD2HTR1AHTR7DRD4
SCHEMBL5481420 0.82 HTR7 (0.47) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL5266891 0.81 DRD2 (0.43) HTR6DRD2HTR1AHTR2ADRD4

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 HTR6 9/4885DRD2 64/4885HTR1A 3/4885

“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.