SCHEMBL5458974

SCHEMBL5458974

Cc1nc(C(=O)N2CCN(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)c(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
HCRTR1 O43613 15/20 0.45
HCRTR2 O43614 15/20 0.45
DRD3 P35462 2/20 0.45
CHRM4 P08173 1/20 0.45
HTR1A P08908 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HRH2 P25021 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
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL5466220 0.82 HRH3 (0.48) TMEM97SIGMAR1HCRTR1HCRTR2DRD3
SCHEMBL5458280 0.79 TMEM97 (0.48) TMEM97SIGMAR1DRD3CHRM4HTR1A
SCHEMBL5468207 0.78 POLB (0.56) TMEM97SIGMAR1DRD3CHRM4HTR1A
SCHEMBL5465885 0.77 KDM4E (0.60) TMEM97SIGMAR1DRD3CHRM4HTR1A
SCHEMBL5463897 0.76 HRH3 (0.49) TMEM97SIGMAR1DRD3CHRM4HTR1A
SCHEMBL5451225 0.75 ALDH1A1 (0.51) TMEM97SIGMAR1DRD3CHRM4HTR1A
SCHEMBL5453399 0.75 TMEM97 (0.49) TMEM97SIGMAR1DRD3CHRM4HTR1A
SCHEMBL5470158 0.75 HRH4 (0.54) TMEM97SIGMAR1DRD3CHRM4HTR1A
SCHEMBL5457290 0.74 TMEM97 (0.47) TMEM97SIGMAR1DRD3CHRM4HTR1A
SCHEMBL5457379 0.74 HRH3 (0.45) TMEM97SIGMAR1DRD3CHRM4HTR1A

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 4 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

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 129/4885HCRTR1 41/4885

“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.