SCHEMBL5458772

SCHEMBL5458772

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPK1 P28482 1/20 0.65
HRH3 Q9Y5N1 1/20 0.59
TMEM97 Q5BJF2 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
DRD3 P35462 2/20 0.52
DRD2 P14416 1/20 0.52
HTR6 P50406 1/20 0.52
HSD11B1 P28845 1/20 0.49
PTPN11 Q06124 1/20 0.48
PDE4B Q07343 1/20 0.48
LSS P48449 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5468341 0.91 TMEM97 (0.63) ALDH1A1MEN1KMT2AMAPK1HRH3
SCHEMBL5458190 0.90 HRH3 (0.55) ALDH1A1MEN1KMT2AMAPK1HRH3
SCHEMBL5462288 0.89 HRH3 (0.59) ALDH1A1MEN1KMT2AMAPK1HRH3
SCHEMBL5472280 0.89 HRH3 (0.59) ALDH1A1MEN1KMT2AMAPK1HRH3
SCHEMBL5458846 0.89 HRH3 (0.74) ALDH1A1MEN1KMT2AHRH3TMEM97
SCHEMBL5468208 0.89 HRH3 (0.56) ALDH1A1MEN1KMT2AMAPK1HRH3
SCHEMBL5468173 0.89 HRH3 (0.59) ALDH1A1MEN1KMT2AMAPK1HRH3
SCHEMBL5458924 0.87 HRH3 (0.66) ALDH1A1MEN1KMT2AMAPK1HRH3
SCHEMBL5455761 0.87 HRH3 (0.54) ALDH1A1MEN1KMT2AMAPK1HRH3
SCHEMBL5464285 0.86 HRH3 (0.56) ALDH1A1MEN1KMT2AMAPK1HRH3

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 ALDH1A1 1805/4885MEN1 4497/4885KMT2A 390/4885

“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.