SCHEMBL5458924

SCHEMBL5458924

O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.66
DRD3 P35462 5/20 0.58
DRD2 P14416 2/20 0.58
HTR6 P50406 2/20 0.58
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.52
KDM2B Q8NHM5 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.47
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
CHRM4 P08173 1/20 0.47
HTR1A P08908 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47

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 0.94 HRH3 (0.74) HRH3DRD3DRD2HTR6ALDH1A1
SCHEMBL5459752 0.89 HRH3 (0.62) HRH3DRD3DRD2HTR6ALDH1A1
SCHEMBL5458772 0.87 ALDH1A1 (0.65) HRH3DRD3DRD2HTR6ALDH1A1
SCHEMBL5472280 0.87 HRH3 (0.59) HRH3DRD3DRD2HTR6ALDH1A1
SCHEMBL5462288 0.87 HRH3 (0.59) HRH3DRD3DRD2HTR6ALDH1A1
SCHEMBL5463838 0.87 HRH3 (0.59) HRH3DRD3DRD2HTR6ALDH1A1
SCHEMBL5453457 0.87 HRH3 (0.59) HRH3DRD3DRD2HTR6ALDH1A1
SCHEMBL5464285 0.84 HRH3 (0.56) HRH3DRD3DRD2HTR6ALDH1A1
SCHEMBL5454971 0.84 KDM4E (0.67) HRH3ALDH1A1GAAKMT2AMEN1
SCHEMBL5471816 0.84 HRH3 (0.56) HRH3DRD3DRD2HTR6ALDH1A1

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.