SCHEMBL5458846

SCHEMBL5458846

O=S(=O)(c1ccccc1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.74
DRD3 P35462 7/20 0.65
HTR6 P50406 5/20 0.65
DRD2 P14416 3/20 0.65
ALDH1A1 P00352 1/20 0.63
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
CHRM4 P08173 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HRH2 P25021 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL5458924 0.94 HRH3 (0.66) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5459752 0.91 HRH3 (0.62) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5458772 0.89 ALDH1A1 (0.65) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5462288 0.89 HRH3 (0.59) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5472280 0.89 HRH3 (0.59) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5468173 0.88 HRH3 (0.59) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5463838 0.88 HRH3 (0.59) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5453457 0.88 HRH3 (0.59) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5468341 0.87 TMEM97 (0.63) HRH3DRD3HTR6DRD2ALDH1A1
SCHEMBL5471816 0.86 HRH3 (0.56) HRH3DRD3HTR6DRD2ALDH1A1

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 104/4885HTR6 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.