SCHEMBL3089273

SCHEMBL3089273

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccc([N+](=O)[O-])cc3F)cc2CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
ESR2 Q92731 1/20 0.47
NR1H2 P55055 1/20 0.46
GHSR Q92847 1/20 0.43
HSPB1 P04792 2/20 0.43
GPR119 Q8TDV5 4/20 0.42
DRD2 P14416 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
MET P08581 1/20 0.38
TBXA2R P21731 1/20 0.38
STS P08842 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL2306719 0.84 ALDH1A1 (0.62) ALDH1A1MAPTLMNAESR2NR1H2
SCHEMBL3087362 0.84 NR1H2 (0.60) ALDH1A1MAPTESR2NR1H2GPR119
SCHEMBL3088645 0.84 ESR2 (0.47) ESR2NR1H2GHSRGPR119NPC1
SCHEMBL3077077 0.81 NPC1 (0.50) ALDH1A1MAPTESR2NR1H2GHSR
SCHEMBL6499027 0.79 ESR2 (0.69) ALDH1A1MAPTLMNAESR2NR1H2
SCHEMBL396485 0.79 NR1H2 (0.67) ALDH1A1MAPTLMNAESR2NR1H2
SCHEMBL30130812 0.79 NR1H2 (0.67) ALDH1A1MAPTLMNAESR2NR1H2
SCHEMBL5160824 0.77 HSPB1 (0.40) ALDH1A1MAPTLMNAGHSRHSPB1
SCHEMBL2255441 0.77 GPR119 (0.64) ALDH1A1MAPTLMNAGPR119
SCHEMBL31216598 0.77 GPR119 (0.64) ALDH1A1MAPTLMNAGPR119

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-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

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 ALDH1A1 465/4885MAPT 866/4885LMNA 933/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B ALDH1A1 867/4885MAPT 256/4885LMNA 1097/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B ALDH1A1 867/4885MAPT 256/4885LMNA 1097/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B ALDH1A1 321/4885MAPT 526/4885LMNA 711/4885
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists HRH3, HRH4, HRH2 ALDH1A1 3992/4885MAPT 587/4885LMNA 3519/4885

“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.