SCHEMBL5455836

SCHEMBL5455836

FC(F)(F)c1ccc(N2CCC(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.45
DRD3 P35462 2/20 0.42
HTR6 P50406 1/20 0.42
HRH1 P35367 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM2B Q8NHM5 3/20 0.40
LCAT P04180 1/20 0.39

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
SCHEMBL5459089 0.98 HRH3 (0.42) HRH3DRD3HTR6HRH1CYP3A4
SCHEMBL5670614 0.90 HRH3 (0.43) HRH3DRD3HTR6HRH1KDM2B
SCHEMBL5470092 0.85 HRH3 (0.45) HRH3DRD3HTR6HRH1
SCHEMBL5450187 0.82 HRH3 (0.55) HRH3
SCHEMBL5459642 0.81 HRH3 (0.50) HRH3DRD3HTR6HRH1
SCHEMBL5462217 0.78 HRH3 (0.64) HRH3HRH1
SCHEMBL5459660 0.78 HRH3 (0.49) HRH3HRH1
SCHEMBL5212095 0.76 HRH3 (0.48) HRH3HRH1CYP3A4LCAT
SCHEMBL5456667 0.75 MEN1 (0.46) HRH3DRD3HTR6KDM2B
SCHEMBL5454899 0.75 HRH3 (0.63) HRH3DRD3HTR6HRH1

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 38/4885DRD3 104/4885HTR6 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.