SCHEMBL5455752

SCHEMBL5455752

O=C(OCc1ccccc1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.82
TMEM97 Q5BJF2 15/20 0.82
HTR1A P08908 3/20 0.82
HRH2 P25021 3/20 0.82
HRH1 P35367 3/20 0.82
HRH3 Q9Y5N1 3/20 0.82
ADRA2A P08913 2/20 0.82
ADRA2B P18089 2/20 0.82
HTR2A P28223 2/20 0.82
HTR2C P28335 2/20 0.82
HTR2B P41595 2/20 0.82
CHRM4 P08173 1/20 0.82
CHRM5 P08912 1/20 0.82
ADRA1D P25100 1/20 0.82
ADRA1A P35348 1/20 0.82
ADRA1B P35368 1/20 0.82
DRD3 P35462 1/20 0.82
HTR5A P47898 1/20 0.82
ADRA2C P18825 2/20 0.77
DRD1 P21728 1/20 0.58

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
SCHEMBL5456834 0.98 TMEM97 (0.82) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL19521514 0.90 TMEM97 (1.00) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL19521491 0.89 TMEM97 (1.00) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL19521544 0.88 TMEM97 (1.00) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL19521496 0.87 TMEM97 (1.00) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL19521482 0.87 SIGMAR1 (1.00) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL5468405 0.85 KDM4E (0.67) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL5458981 0.82 TMEM97 (0.66) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL13636153 0.81 SIGMAR1 (0.65) SIGMAR1TMEM97HTR1AHRH2HRH1
SCHEMBL5465885 0.81 KDM4E (0.60) SIGMAR1TMEM97HTR1AHRH2HRH1

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 6 patents. 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
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 WO disclosed

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 486/4885HTR1A 120/4885

“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.