SCHEMBL5460076

SCHEMBL5460076

O=C(c1cscn1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
NAMPT P43490 1/20 0.48
HRH3 Q9Y5N1 6/20 0.46
TMEM97 Q5BJF2 5/20 0.46
SIGMAR1 Q99720 5/20 0.46
HTR1A P08908 2/20 0.46
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
DRD3 P35462 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46

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
SCHEMBL5453465 0.82 HRH3 (0.47) POLBHRH3HRH1DRD3CYP2D6
SCHEMBL5456007 0.82 HRH3 (0.47) POLBHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5464881 0.80 KDM4E (0.60) POLBNAMPTHRH3TMEM97SIGMAR1
SCHEMBL5464954 0.80 HRH3 (0.46) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL5466220 0.79 HRH3 (0.48) POLBHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5459697 0.79 L3MBTL3 (0.57) POLBHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5465885 0.79 KDM4E (0.60) POLBHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5459946 0.78 LMNA (0.62) POLBHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5466137 0.78 KDM4E (0.67) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL5461750 0.78 ALDH1A1 (0.60) HRH3TMEM97SIGMAR1HTR1AHRH2

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 POLB 2776/4885NAMPT 4183/4885HRH3 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.