SCHEMBL5459927

SCHEMBL5459927

O=C(Cc1ccsc1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
TMEM97 Q5BJF2 5/20 0.49
HRH3 Q9Y5N1 4/20 0.49
HTR1A P08908 2/20 0.49
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
DRD3 P35462 2/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR2B P41595 1/20 0.49
HTR5A P47898 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL5468405 0.86 KDM4E (0.67) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5458309 0.84 ME2 (0.56) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5453428 0.84 KDM4E (0.52) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5456007 0.83 HRH3 (0.47) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5455992 0.82 HRH3 (0.53) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5464941 0.82 ME2 (0.58) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5454869 0.82 GFER (0.58) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5467837 0.82 PANK3 (0.49) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5460606 0.80 ALDH1A1 (0.53) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL5455091 0.79 HRH3 (0.51) SIGMAR1TMEM97HRH3HTR1AHRH2

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 SIGMAR1 129/4885TMEM97 486/4885HRH3 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.