SCHEMBL3087362

SCHEMBL3087362

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccc(N)cc3F)cc2CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.60
ESR2 Q92731 2/20 0.47
GPR119 Q8TDV5 6/20 0.43
MAPK14 Q16539 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
STS P08842 1/20 0.40
ESR1 P03372 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
ALDH1A1 P00352 1/20 0.38
S1PR2 O95136 1/20 0.38
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3088645 0.88 ESR2 (0.47) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL3077077 0.84 NPC1 (0.50) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL3089273 0.84 ALDH1A1 (0.48) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL2306894 0.83 NR1H2 (0.85) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL13285564 0.79 NR1H2 (0.70) NR1H2ESR2NPC1RAB9AESR1
SCHEMBL4917789 0.78 ESR2 (0.55) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL3090088 0.77 ESR2 (0.47) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL2307305 0.77 ESR2 (0.60) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL3094979 0.76 ESR2 (0.49) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL3090139 0.76 TTR (0.49) NR1H2ESR2NPC1RAB9ASTS

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 15 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-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2007-10-04 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 (5 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 NR1H2 665/4885ESR2 1181/4885GPR119 997/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B NR1H2 963/4885ESR2 2190/4885GPR119 821/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B NR1H2 963/4885ESR2 2190/4885GPR119 821/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B NR1H2 863/4885ESR2 2016/4885GPR119 910/4885
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists HRH3, HRH4, HRH2 NR1H2 1151/4885ESR2 2743/4885GPR119 815/4885

“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.