SCHEMBL3094979

SCHEMBL3094979

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccc(C(=O)O)cc3Cl)cc2CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.46
ESRRA P11474 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TOP2A P11388 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
GHSR Q92847 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RORC P51449 1/20 0.39
STS P08842 2/20 0.39
ACACB O00763 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
TTR P02766 2/20 0.38
STK39 Q9UEW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL3091049 0.90 ESR2 (0.47) ESR2NR1H2ESRRAMEN1KMT2A
SCHEMBL3082431 0.89 ESR2 (0.49) ESR2NR1H2ESRRAMEN1KMT2A
SCHEMBL3090088 0.89 ESR2 (0.47) ESR2NR1H2MEN1KMT2ATOP2A
SCHEMBL3090139 0.88 TTR (0.49) ESR2NR1H2MEN1KMT2AGHSR
SCHEMBL3089541 0.88 ESR2 (0.47) ESR2NR1H2MEN1KMT2AGHSR
SCHEMBL1789709 0.83 ESR2 (0.60) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL4913611 0.80 OPRM1 (0.52) ESR2
SCHEMBL4917789 0.79 ESR2 (0.55) ESR2NR1H2GHSRNPC1RAB9A
SCHEMBL3094927 0.79 STS (0.47) ESR2NR1H2KMT2ANPC1RAB9A
SCHEMBL3085962 0.79 ESR2 (0.46) ESR2NR1H2MEN1KMT2ANPC1

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 1181/4885NR1H2 665/4885ESRRA 1758/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B ESR2 2190/4885NR1H2 963/4885ESRRA 3804/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B ESR2 2190/4885NR1H2 963/4885ESRRA 3804/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B ESR2 2016/4885NR1H2 863/4885ESRRA 2572/4885

“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.