SCHEMBL3094879

SCHEMBL3094879

C1=CC(N2CCc3ccc(Oc4ncccn4)cc3CC2)=C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.58
RAB9A P51151 1/20 0.38
DRD1 P21728 5/20 0.38
DRD5 P21918 5/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
DRD4 P21917 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH1 P35367 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3090688 0.86 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3100519 0.86 HRH3 (0.61) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3087258 0.82 HRH3 (0.56) HRH3DRD1DRD5DRD2DRD3
SCHEMBL3090791 0.80 HRH3 (0.61) HRH3KMT2AHRH1
SCHEMBL3091201 0.80 HRH3 (0.47) HRH3HRH1
SCHEMBL3101101 0.76 HRH3 (0.51) HRH3RAB9AHRH1NPC1MAPT
SCHEMBL3094146 0.76 HRH3 (0.39) HRH3RAB9AGRIN2DGRIN3BGRIN1
SCHEMBL3094817 0.75 HRH3 (0.67) HRH3RAB9AHRH1NPC1
SCHEMBL3098075 0.75 HRH3 (0.50) HRH3RAB9AHRH1NPC1
SCHEMBL3089552 0.74 HRH3 (0.34) HRH3DRD1DRD5DRD2DRD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP claimed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US claimed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US claimed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP claimed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US claimed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US claimed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP 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 (3 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-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 HRH3 211/4885RAB9A 1285/4885DRD1 1/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885RAB9A 2336/4885DRD1 187/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885RAB9A 2336/4885DRD1 187/4885

“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.