SCHEMBL5458719

SCHEMBL5458719

c1cc2c(cc1N1CCNCC1)CCN(C1CCC1)CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.59
CYP2D6 P10635 3/20 0.55
HTR6 P50406 2/20 0.48
DRD3 P35462 3/20 0.46
DRD2 P14416 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
ADRB1 P08588 2/20 0.43
HRH1 P35367 2/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL5457291 0.97 HRH3 (0.55) HRH3CYP2D6HTR6DRD3DRD2
SCHEMBL4689650 0.81 ADRB1 (0.53) CYP2D6HTR6DRD3DRD2SIGMAR1
SCHEMBL4684321 0.81 ADRB1 (0.53) CYP2D6HTR6DRD3DRD2SIGMAR1
SCHEMBL5463907 0.81 MEN1 (0.47) HRH3CYP2D6HTR6DRD3DRD2
SCHEMBL4684443 0.80 ADRB1 (0.51) CYP2D6HTR6DRD3TMEM97SIGMAR1
SCHEMBL5466163 0.78 DRD3 (0.49) HRH3CYP2D6HTR6DRD3DRD2
SCHEMBL4249960 0.78 ASIC3 (0.53) HRH3CYP2D6HTR6DRD3DRD2
SCHEMBL5456534 0.77 HRH3 (0.62) HRH3CYP2D6HTR6DRD3
Hydrochloric Acid SCHEMBL4251263 0.77 ASIC3 (0.52) HRH3CYP2D6HTR6DRD3DRD2
SCHEMBL11918558 0.76 HRH3 (0.67) HRH3CYP2D6

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 6 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
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 WO 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 HRH3 38/4885CYP2D6 425/4885HTR6 373/4885

“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.