SCHEMBL3093286

SCHEMBL3093286

O=C(c1cccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)c1)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.68
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL3 Q96JM7 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MBTD1 Q05BQ5 1/20 0.52

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
SCHEMBL3089463 0.92 HRH3 (0.62) HRH3MEN1KMT2AL3MBTL1
SCHEMBL3089554 0.90 HRH3 (0.76) HRH3L3MBTL3L3MBTL1
SCHEMBL3101097 0.84 HRH3 (0.77) HRH3
SCHEMBL1789789 0.84 HRH3 (0.65) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3339325 0.83 HRH3 (0.75) HRH3
SCHEMBL3082476 0.83 HRH3 (0.67) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL3094819 0.82 HRH3 (0.70) HRH3
SCHEMBL3087354 0.82 HRH3 (0.66) HRH3L3MBTL3L3MBTL1
SCHEMBL4563345 0.81 HRH3 (1.00) HRH3
SCHEMBL3094905 0.81 HRH3 (0.67) HRH3

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 9 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-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US 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 211/4885MEN1 1533/4885KMT2A 973/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885MEN1 4191/4885KMT2A 258/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885MEN1 4191/4885KMT2A 258/4885

“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.