SCHEMBL5454943

SCHEMBL5454943

O=S(=O)(c1ccc(-c2ccon2)s1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HRH3 Q9Y5N1 5/20 0.43
GHSR Q92847 1/20 0.42
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42
MEN1 O00255 2/20 0.41
MMP8 P22894 4/20 0.39
MMP3 P08254 2/20 0.39
HRH1 P35367 1/20 0.38

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
SCHEMBL5454912 0.84 HRH3 (0.47) MAPTKMT2AL3MBTL1ALDH1A1POLB
SCHEMBL5466214 0.83 KMT2A (0.42) MAPTKMT2AHRH3GHSRDRD3
SCHEMBL5451236 0.81 L3MBTL1 (0.50) KMT2AL3MBTL1ALDH1A1HRH3DRD3
SCHEMBL5454888 0.77 MEN1 (0.55) MAPTKMT2AALDH1A1HRH3DRD3
SCHEMBL5463839 0.74 HRH3 (0.60) HRH3DRD3DRD2HTR6HRH1
SCHEMBL5458846 0.74 HRH3 (0.74) KMT2AL3MBTL1ALDH1A1HRH3DRD3
SCHEMBL5462293 0.73 HRH3 (0.46) HRH3DRD3DRD2HTR6HRH1
SCHEMBL5466240 0.73 MEN1 (0.57) KMT2AALDH1A1POLBHRH3MEN1
SCHEMBL5464188 0.73 HRH3 (0.55) KMT2AALDH1A1HRH3DRD3DRD2
SCHEMBL5466147 0.73 HRH3 (0.46) KMT2AALDH1A1HRH3DRD3DRD2

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 MAPT 1504/4885KMT2A 390/4885L3MBTL1 3089/4885

“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.