SCHEMBL3076252

SCHEMBL3076252

O=C(c1ccc(C(=O)N2CCC(Oc3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cc1)N1CCCC1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.86
CYP2D6 P10635 2/20 0.68
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
L3MBTL3 Q96JM7 7/20 0.55
L3MBTL1 Q9Y468 6/20 0.55
HRH1 P35367 1/20 0.54
MBTD1 Q05BQ5 4/20 0.52
TP53BP1 Q12888 1/20 0.52
L3MBTL4 Q8NA19 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
SCHEMBL3091092 0.98 HRH3 (0.83) HRH3CYP2D6KMT2AMEN1L3MBTL3
SCHEMBL10284355 0.94 HRH3 (0.83) HRH3CYP2D6KMT2AMEN1HRH1
SCHEMBL3101064 0.92 HRH3 (0.80) HRH3CYP2D6KMT2AMEN1HRH1
SCHEMBL3091154 0.90 HRH3 (0.77) HRH3CYP2D6KMT2AMEN1HRH1
SCHEMBL3086369 0.90 HRH3 (0.84) HRH3CYP2D6KMT2AMEN1
SCHEMBL3090967 0.89 HRH3 (0.76) HRH3CYP2D6KMT2AMEN1HRH1
SCHEMBL3076179 0.89 HRH3 (0.82) HRH3CYP2D6KMT2AMEN1
SCHEMBL3076171 0.89 HRH3 (0.75) HRH3CYP2D6KMT2AMEN1L3MBTL3
SCHEMBL3095026 0.88 HRH3 (0.75) HRH3CYP2D6HRH1
SCHEMBL3097178 0.88 HRH3 (0.75) HRH3CYP2D6KMT2AMEN1L3MBTL3

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 211/4885CYP2D6 186/4885KMT2A 973/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885KMT2A 258/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885KMT2A 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.