SCHEMBL3089134

SCHEMBL3089134

CNC(=O)c1ccc(OC)c(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
S1PR2 O95136 1/20 0.47
ESR2 Q92731 2/20 0.47
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.46
STS P08842 1/20 0.46
PDE4B Q07343 3/20 0.42
PDE4D Q08499 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TMPRSS2 O15393 1/20 0.41
ESR1 P03372 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL3087370 0.96 HRH3 (0.48) HRH3S1PR2ESR2MAPK1NR1H2
SCHEMBL3089890 0.90 STS (0.47) ESR2MAPK1NR1H2STSPDE4B
SCHEMBL3087527 0.89 HRH3 (0.48) HRH3S1PR2ESR2NR1H2STS
SCHEMBL3089541 0.89 ESR2 (0.47) ESR2MAPK1NR1H2STSPDE4B
SCHEMBL3082431 0.89 ESR2 (0.49) HRH3S1PR2ESR2NR1H2STS
SCHEMBL3094927 0.86 STS (0.47) ESR2MAPK1NR1H2STSPDE4B
SCHEMBL3091109 0.86 NR1H2 (0.46) HRH3S1PR2ESR2NR1H2HDAC6
SCHEMBL3090139 0.85 TTR (0.49) ESR2MAPK1NR1H2STSPDE4B
SCHEMBL3077276 0.81 HRH3 (0.66) HRH3S1PR2ESR2NR1H2
SCHEMBL3085962 0.80 ESR2 (0.46) HRH3S1PR2ESR2NR1H2STS

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 12 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 disclosed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7704994-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
US-7696193-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-13 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1572215-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-14 EP disclosed
WO-2004056369-A1 BENZO ‘ D!AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2004-07-08 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 (4 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 211/4885S1PR2 1975/4885ESR2 1181/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885S1PR2 1388/4885ESR2 2190/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885S1PR2 1388/4885ESR2 2190/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B HRH3 243/4885S1PR2 996/4885ESR2 2016/4885

“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.