SCHEMBL5265228

SCHEMBL5265228

CCOc1ccccc1N1CCN(CCCCNC(=O)c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.58
HTR1A P08908 4/20 0.58
HTR2A P28223 4/20 0.58
DRD3 P35462 9/20 0.51
DRD4 P21917 2/20 0.49
HTR2C P28335 2/20 0.48
DRD1 P21728 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL14339853 0.93 DRD3 (0.60) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL14339855 0.87 HTR2A (0.55) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL14339852 0.86 DRD2 (0.64) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL14339858 0.83 DRD2 (0.45) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5369212 0.81 DRD2 (0.44) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5481420 0.81 HTR7 (0.47) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5266891 0.81 DRD2 (0.43) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5265981 0.80 DRD3 (0.68) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5263240 0.75 DRD2 (0.62) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5468004 0.75 HTR7 (0.51) DRD2HTR1ADRD3DRD4ADRA1A

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
EP-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP claimed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO claimed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
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 DRD2 64/4885HTR1A 3/4885HTR2A 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.