SCHEMBL5458294

SCHEMBL5458294

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.45
SIGMAR1 Q99720 5/20 0.45
HRH3 Q9Y5N1 4/20 0.45
HTR1A P08908 2/20 0.45
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45
DRD3 P35462 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 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
SCHEMBL5454912 0.81 HRH3 (0.47) HRH3DRD3ALDH1A1KMT2AL3MBTL1
SCHEMBL5465885 0.80 KDM4E (0.60) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5470158 0.79 HRH4 (0.54) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5461750 0.78 ALDH1A1 (0.60) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5451225 0.78 ALDH1A1 (0.51) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5464881 0.77 KDM4E (0.60) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5464954 0.77 HRH3 (0.46) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5458280 0.76 TMEM97 (0.48) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5460076 0.75 POLB (0.57) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5464902 0.75 L3MBTL1 (0.53) TMEM97SIGMAR1HRH3HTR1AHRH2

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 TMEM97 486/4885SIGMAR1 129/4885HRH3 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.