SCHEMBL5451225

SCHEMBL5451225

O=C(c1nc2ccccc2s1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 3/20 0.49
HPGD P15428 1/20 0.49
TMEM97 Q5BJF2 5/20 0.47
SIGMAR1 Q99720 5/20 0.47
HRH3 Q9Y5N1 4/20 0.47
DRD3 P35462 3/20 0.47
HTR1A P08908 2/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL5470158 0.83 HRH4 (0.54) ALDH1A1HPGDTMEM97SIGMAR1HRH3
SCHEMBL5465885 0.80 KDM4E (0.60) ALDH1A1TMEM97SIGMAR1HRH3DRD3
SCHEMBL5451502 0.80 CCR3 (0.49) ALDH1A1TMEM97SIGMAR1HRH3DRD3
SCHEMBL5452349 0.79 HTT (0.60) ALDH1A1HSD17B10HPGDTMEM97SIGMAR1
SCHEMBL5465825 0.78 LMNA (0.58) ALDH1A1TSHRHSD17B10RAB9AHPGD
SCHEMBL5458294 0.78 TMEM97 (0.45) ALDH1A1HPGDTMEM97SIGMAR1HRH3
SCHEMBL5464881 0.77 KDM4E (0.60) ALDH1A1TMEM97SIGMAR1HRH3DRD3
SCHEMBL5468207 0.77 POLB (0.56) ALDH1A1HPGDTMEM97SIGMAR1HRH3
SCHEMBL5461750 0.77 ALDH1A1 (0.60) ALDH1A1TMEM97SIGMAR1HRH3DRD3
SCHEMBL5457085 0.77 TMEM97 (0.52) ALDH1A1HSD17B10RAB9AHPGDTMEM97

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 ALDH1A1 1805/4885TSHR 676/4885HSD17B10 711/4885

“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.