SCHEMBL5459642

SCHEMBL5459642

O=C(O)c1ccc(N2CCC(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.50
HRH1 P35367 2/20 0.44
DRD3 P35462 2/20 0.44
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5462217 0.89 HRH3 (0.64) HRH3HRH1
SCHEMBL5459660 0.86 HRH3 (0.49) HRH3HRH1
SCHEMBL5470110 0.86 HRH3 (0.48) HRH3HRH1DRD3HTR6KDM4E
SCHEMBL5470092 0.84 HRH3 (0.45) HRH3HRH1DRD3HTR6
SCHEMBL5459907 0.84 HRH3 (0.46) HRH3HRH1DRD3HTR6KDM4E
SCHEMBL5455836 0.81 HRH3 (0.45) HRH3HRH1DRD3HTR6
SCHEMBL5670614 0.81 HRH3 (0.43) HRH3HRH1DRD3HTR6
SCHEMBL5468020 0.79 HRH3 (0.47) HRH3HRH1DRD3HTR6
SCHEMBL5459089 0.79 HRH3 (0.42) HRH3HRH1DRD3HTR6
SCHEMBL4032479 0.77 HRH3 (0.53) HRH3KDM4EGLAHTTKMT2A

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 38/4885HRH1 101/4885DRD3 104/4885

“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.