SCHEMBL5456675

SCHEMBL5456675

CC(C)(C)OC(=O)N1CCc2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 20/20 0.70
SIGMAR1 Q99720 20/20 0.70
HRH1 P35367 5/20 0.62
HRH2 P25021 4/20 0.62
HTR2C P28335 4/20 0.62
HRH3 Q9Y5N1 4/20 0.62
ADRA2A P08913 3/20 0.62
ADRA2B P18089 3/20 0.62
HTR1E P28566 3/20 0.62
DRD3 P35462 2/20 0.62
HTR1A P08908 3/20 0.61
HTR2A P28223 3/20 0.61
HTR2B P41595 3/20 0.61
HTR1B P28222 2/20 0.61
ADRA2C P18825 1/20 0.61
DRD1 P21728 1/20 0.61
SLC6A4 P31645 1/20 0.61
CHRM5 P08912 2/20 0.60
ADRA1D P25100 2/20 0.60
CHRM4 P08173 1/20 0.60

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
SCHEMBL30449380 0.90 TMEM97 (0.77) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL28699149 0.90 TMEM97 (0.77) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL31330699 0.87 NPC1 (0.56) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL23854709 0.84 SIGMAR1 (0.54) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL1842426 0.83 MEN1 (0.61) CHRM4
SCHEMBL5458981 0.83 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL19521513 0.82 TMEM97 (1.00) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL19521494 0.82 TMEM97 (1.00) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL31173271 0.82 TMEM97 (0.70) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL30366420 0.81 NAMPT (0.52) TMEM97SIGMAR1HRH1HRH2HTR2C

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 3 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 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

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 129/4885HRH1 101/4885

“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.