SCHEMBL5453406

SCHEMBL5453406

Cc1c(S(=O)(=O)N2CCN(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)cnn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.50
DRD3 P35462 3/20 0.46
DRD2 P14416 1/20 0.46
HTR6 P50406 1/20 0.46
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
HRH1 P35367 2/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42

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
SCHEMBL5458846 0.81 HRH3 (0.74) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5461526 0.80 HRH3 (0.55) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5459704 0.79 HRH3 (0.47) HRH3DRD3DRD2HTR6POLB
SCHEMBL5451040 0.79 HRH3 (0.49) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5463884 0.78 HRH3 (0.55) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5464353 0.78 MAPT (0.59) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5457089 0.78 TSHR (0.57) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5458924 0.77 HRH3 (0.66) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5463839 0.77 HRH3 (0.60) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5472280 0.77 HRH3 (0.59) HRH3DRD3DRD2HTR6GAA

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 HRH3 38/4885DRD3 104/4885DRD2 67/4885

“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.