SCHEMBL5454912

SCHEMBL5454912

O=S(=O)(c1ccc(-c2ccccn2)s1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
ALDH1A1 P00352 3/20 0.47
DRD3 P35462 3/20 0.46
HTR6 P50406 2/20 0.46
DRD2 P14416 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GHSR Q92847 5/20 0.42
PKM P14618 1/20 0.42
MLNR O43193 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.41
KDM2B Q8NHM5 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
SCHEMBL5454943 0.84 MAPT (0.59) HRH3ALDH1A1DRD3HTR6DRD2
SCHEMBL5451236 0.81 L3MBTL1 (0.50) HRH3ALDH1A1DRD3HTR6DRD2
SCHEMBL5466214 0.81 KMT2A (0.42) HRH3DRD3HTR6DRD2KMT2A
SCHEMBL5458294 0.81 TMEM97 (0.45) HRH3ALDH1A1DRD3HTR6DRD2
SCHEMBL5454888 0.78 MEN1 (0.55) HRH3ALDH1A1DRD3HTR6DRD2
SCHEMBL5458846 0.78 HRH3 (0.74) HRH3ALDH1A1DRD3HTR6DRD2
SCHEMBL5465985 0.76 ALDH1A1 (0.60) HRH3ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL5461526 0.75 HRH3 (0.55) HRH3ALDH1A1DRD3HTR6DRD2
SCHEMBL5466147 0.75 HRH3 (0.46) HRH3ALDH1A1DRD3HTR6DRD2
SCHEMBL5458924 0.75 HRH3 (0.66) HRH3ALDH1A1DRD3HTR6DRD2

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 38/4885ALDH1A1 1805/4885DRD3 104/4885

“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.