SCHEMBL5458837

SCHEMBL5458837

O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HRH3 Q9Y5N1 5/20 0.52
CHRM4 P08173 2/20 0.48
DRD3 P35462 3/20 0.48
DRD2 P14416 1/20 0.48
HTR6 P50406 1/20 0.48
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 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
SCHEMBL5461526 0.86 HRH3 (0.55) HRH3CHRM4DRD3DRD2HTR6
SCHEMBL5463884 0.84 HRH3 (0.55) HRH3CHRM4DRD3DRD2HTR6
SCHEMBL5464353 0.83 MAPT (0.59) KMT2AMEN1HRH3CHRM4DRD3
SCHEMBL5458846 0.82 HRH3 (0.74) KMT2AMEN1HRH3CHRM4DRD3
SCHEMBL5471816 0.82 HRH3 (0.56) KMT2AMEN1HRH3DRD3DRD2
SCHEMBL5464323 0.82 HRH3 (0.51) KMT2AMEN1HRH3CHRM4DRD3
SCHEMBL5472482 0.82 HTT (0.59) KMT2AMEN1HRH3DRD3DRD2
SCHEMBL5451040 0.80 HRH3 (0.49) KMT2AMEN1HRH3CHRM4DRD3
SCHEMBL5459977 0.79 HRH3 (0.50) HRH3CHRM4DRD3DRD2HTR6
SCHEMBL5465985 0.79 ALDH1A1 (0.60) KMT2AMEN1HRH3MAPTALDH1A1

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 KMT2A 390/4885MEN1 4497/4885HRH3 38/4885

“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.