SCHEMBL5372349

SCHEMBL5372349

O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.62
KCNH2 Q12809 1/20 0.62
DRD2 P14416 14/20 0.58
DRD4 P21917 9/20 0.58
ADRA1A P35348 3/20 0.58
HTR2A P28223 7/20 0.58
HTR1A P08908 7/20 0.56
HTR2C P28335 4/20 0.56
DRD1 P21728 3/20 0.56
HTR2B P41595 3/20 0.56
ADRA1D P25100 2/20 0.56
ADRA1B P35368 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55

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
SCHEMBL5263240 0.86 DRD2 (0.62) DRD3DRD2DRD4ADRA1AHTR2A
SCHEMBL5262499 0.85 DRD3 (0.44) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL5265096 0.84 HTR2A (0.43) DRD3KCNH2DRD2ADRA1AHTR2A
SCHEMBL5267672 0.83 HTR2A (0.43) DRD3KCNH2DRD2ADRA1AHTR2A
SCHEMBL14339852 0.82 DRD2 (0.64) DRD3KCNH2DRD2DRD4HTR2A
SCHEMBL5462058 0.81 HTR2A (0.49) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL14339848 0.77 DRD3 (0.76) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL21802150 0.74 DRD3 (1.00) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL8183795 0.73 DRD3 (0.94) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL14339849 0.73 DRD3 (0.68) DRD3KCNH2DRD2DRD4ADRA1A

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-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
EP-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP disclosed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A DRD3 176/4885KCNH2 1223/4885DRD2 64/4885

“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.