SCHEMBL5459936

SCHEMBL5459936

N#Cc1ccccc1N1CCN(c2ccc3c(c2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.52
DRD2 P14416 1/20 0.49
HTR6 P50406 1/20 0.49
HRH3 Q9Y5N1 13/20 0.47
TMEM97 Q5BJF2 5/20 0.46
SIGMAR1 Q99720 5/20 0.46
CYP2D6 P10635 3/20 0.44
HTR1A P08908 2/20 0.44
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL5463907 0.83 MEN1 (0.47) DRD3DRD2HTR6HRH3TMEM97
SCHEMBL5466163 0.82 DRD3 (0.49) DRD3DRD2HTR6HRH3TMEM97
SCHEMBL5458719 0.75 HRH3 (0.59) DRD3DRD2HTR6HRH3TMEM97
SCHEMBL3087154 0.74 HRH3 (0.66) HRH3CYP2D6
SCHEMBL5452415 0.74 HRH3 (0.51) DRD3HRH3TMEM97SIGMAR1CYP2D6
SCHEMBL1787868 0.73 HRH3 (0.52) DRD3DRD2HRH3CYP2D6
SCHEMBL5457291 0.72 HRH3 (0.55) DRD3DRD2HTR6HRH3TMEM97
SCHEMBL5464266 0.72 HRH3 (0.53) DRD3DRD2HTR6HRH3TMEM97
SCHEMBL3100790 0.72 HRH3 (0.67) HRH3CYP2D6HRH1
SCHEMBL5452354 0.72 L3MBTL3 (0.49) DRD3HRH3TMEM97SIGMAR1CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B DRD3 104/4885DRD2 67/4885HTR6 373/4885

“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.