SCHEMBL5452349

SCHEMBL5452349

O=C(c1csc2ccccc12)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
MAPT P10636 2/20 0.55
HRH3 Q9Y5N1 4/20 0.53
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
RECQL P46063 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
TMEM97 Q5BJF2 5/20 0.48
SIGMAR1 Q99720 5/20 0.48
HTR1A P08908 2/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
DRD3 P35462 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48

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
SCHEMBL5456497 0.82 ALDH1A1 (0.62) MAPTHRH3LMNAALDH1A1TMEM97
SCHEMBL5457085 0.81 TMEM97 (0.52) HTTHRH3LMNAHPGDALDH1A1
SCHEMBL5459038 0.81 GFER (0.59) HTTMAPTHRH3ALDH1A1TMEM97
SCHEMBL5465885 0.81 KDM4E (0.60) HTTHRH3LMNAALDH1A1TMEM97
SCHEMBL5470158 0.80 HRH4 (0.54) MAPTHRH3HPGDALDH1A1RECQL
SCHEMBL5461750 0.79 ALDH1A1 (0.60) MAPTHRH3LMNAALDH1A1TMEM97
SCHEMBL5461810 0.79 KDM2B (0.53) HTTHRH3LMNAHPGDALDH1A1
SCHEMBL5459977 0.79 HRH3 (0.50) MAPTHRH3LMNAALDH1A1TMEM97
SCHEMBL5451225 0.79 ALDH1A1 (0.51) MAPTHRH3LMNAHPGDALDH1A1
SCHEMBL5460599 0.77 TSHR (0.60) MAPTHRH3LMNAALDH1A1HSD17B10

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 HTT 1394/4885MAPT 1504/4885HRH3 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.