SCHEMBL5263565

SCHEMBL5263565

O=C(NCCCCN1CCN(c2cccc3c2OCCCC3)CC1)c1c[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.51
HTR1A P08908 9/20 0.49
HTR2A P28223 8/20 0.49
DRD3 P35462 8/20 0.49
DRD4 P21917 3/20 0.46
HTR2C P28335 4/20 0.44
DRD1 P21728 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR2B P41595 2/20 0.43

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
SCHEMBL14339859 0.98 DRD2 (0.51) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL14339857 0.94 DRD2 (0.53) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5265394 0.83 DRD2 (0.53) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5263145 0.83 DRD2 (0.49) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5473542 0.81 DRD2 (0.46) DRD2HTR1AHTR2AADRA1DADRA1A
SCHEMBL5266891 0.81 DRD2 (0.43) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5261982 0.81 DRD2 (0.53) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5266898 0.81 DRD2 (0.49) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL14339851 0.81 DRD2 (0.76) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5461977 0.79 DRD2 (0.47) DRD2HTR1AHTR2AADRA1DADRA1A

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.