SCHEMBL5451040

SCHEMBL5451040

Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
DRD3 P35462 3/20 0.46
DRD2 P14416 1/20 0.46
HTR6 P50406 1/20 0.46
HSD11B1 P28845 2/20 0.44
TMEM97 Q5BJF2 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
PTPN11 Q06124 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMPD1 P17405 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41

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
SCHEMBL5464323 0.90 HRH3 (0.51) HRH3MAPTTP53DRD3DRD2
SCHEMBL5461526 0.90 HRH3 (0.55) HRH3MAPTTP53DRD3DRD2
SCHEMBL5463884 0.88 HRH3 (0.55) HRH3MAPTTP53DRD3DRD2
SCHEMBL5464353 0.83 MAPT (0.59) HRH3MAPTTP53DRD3DRD2
SCHEMBL5468173 0.82 HRH3 (0.59) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5459966 0.82 HRH3 (0.55) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5457089 0.81 TSHR (0.57) HRH3MAPTDRD3DRD2HTR6
SCHEMBL5459173 0.81 KMT2A (0.54) HRH3MAPTTP53DRD3DRD2
SCHEMBL5465985 0.81 ALDH1A1 (0.60) HRH3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5457451 0.81 MAPT (0.61) HRH3MAPTTP53POLBMEN1

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 38/4885MAPT 1504/4885TP53 4877/4885

“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.