SCHEMBL3089541

SCHEMBL3089541

COc1ccc(C(=O)O)cc1Oc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.47
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.46
STS P08842 1/20 0.46
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TTR P02766 1/20 0.44
GHSR Q92847 3/20 0.42
ESR1 P03372 1/20 0.41

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
SCHEMBL3090139 0.96 TTR (0.49) ESR2MAPK1NR1H2STSPDE4A
SCHEMBL3089890 0.91 STS (0.47) ESR2MAPK1NR1H2STSPDE4A
SCHEMBL3089134 0.89 HRH3 (0.48) ESR2MAPK1NR1H2STSPDE4A
SCHEMBL3090088 0.89 ESR2 (0.47) ESR2NR1H2STSGHSRNPC1
SCHEMBL3094979 0.88 ESR2 (0.49) ESR2NR1H2STSTTRGHSR
SCHEMBL3094927 0.87 STS (0.47) ESR2MAPK1NR1H2STSPDE4A
SCHEMBL3087370 0.85 HRH3 (0.48) ESR2MAPK1NR1H2STSPDE4A
SCHEMBL1789709 0.83 ESR2 (0.60) ESR2NR1H2NPC1RAB9AKDM4E
SCHEMBL2307305 0.81 ESR2 (0.60) ESR2NR1H2STSCA1CA2
SCHEMBL3085962 0.81 ESR2 (0.46) ESR2NR1H2STSESR1NPC1

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 ESR2 1181/4885MAPK1 2388/4885NR1H2 665/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B ESR2 2190/4885MAPK1 3705/4885NR1H2 963/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B ESR2 2190/4885MAPK1 3705/4885NR1H2 963/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B ESR2 2016/4885MAPK1 2670/4885NR1H2 863/4885

“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.