SCHEMBL5456667

SCHEMBL5456667

N#Cc1ccc(N2CCC(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 9/20 0.42
CYP2D6 P10635 2/20 0.42
HTR6 P50406 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
ALK Q9UM73 1/20 0.38

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
SCHEMBL5459076 0.88 DRD3 (0.44) DRD3HRH3CYP2D6HTR6KDM2B
SCHEMBL5463907 0.87 MEN1 (0.47) MEN1DRD3HRH3CYP2D6HTR6
SCHEMBL5456553 0.82 HRH3 (0.53) HRH3L3MBTL3L3MBTL1
SCHEMBL1787868 0.80 HRH3 (0.52) DRD3HRH3CYP2D6SLC6A2SLC6A4
SCHEMBL5464306 0.80 HRH3 (0.51) HRH3L3MBTL3L3MBTL1
SCHEMBL5449832 0.79 LMNA (0.44) MEN1DRD3HRH3CYP2D6HTR6
SCHEMBL5471824 0.79 CCR2 (0.48) HRH3CYP2D6
SCHEMBL5459981 0.79 HRH3 (0.50) HRH3L3MBTL3L3MBTL1
SCHEMBL5470092 0.79 HRH3 (0.45) DRD3HRH3HTR6
SCHEMBL5453321 0.78 HRH3 (0.48) DRD3HRH3CYP2D6HTR6KDM2B

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 MEN1 4497/4885DRD3 104/4885HRH3 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.