SCHEMBL3986730

SCHEMBL3986730

CC1(C)OCC(=O)Nc2ccc(Br)cc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 14/20 0.62
CMA1 P23946 1/20 0.46
AHR P35869 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1B1 P15121 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL3985122 0.80 PGR (0.45) PGRCMA1AHR
SCHEMBL4911981 0.79 PGR (0.84) PGR
SCHEMBL3983067 0.78 PGR (0.59) PGRCMA1AHRMEN1KMT2A
SCHEMBL13647510 0.78 PGR (0.78) PGR
SCHEMBL3981873 0.77 PGR (0.58) PGR
SCHEMBL4910038 0.77 PGR (1.00) PGR
SCHEMBL3987415 0.76 PGR (0.64) PGR
SCHEMBL3983757 0.76 PGR (0.61) PGRCMA1AHR
SCHEMBL3983322 0.76 PGR (1.00) PGR
SCHEMBL4914479 0.76 PGR (1.00) PGR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598237-B2 7-aryl 1,5-dihydro-4,1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2009-10-06 US disclosed
US-20080139530-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives And Their Use As Progesterone Receptor Modulators WYETH (US) 2008-06-12 US disclosed
US-20080113964-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives and Their Use As Progesterone Receptor Modulators WYETH (US) 2008-05-15 US disclosed
US-7323455-B2 7-aryl 1,5-dihydro-4,1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2008-01-29 US disclosed
US-20050215539-A1 7-aryl 1,5-dihydro-4, 1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2005-09-29 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 (3 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-20080113964-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives and Their Use As Progesterone Receptor Modulators PGR, GPER1, PGRMC2 PGR 1/4885CMA1 3688/4885AHR 610/4885
US-20080139530-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives And Their Use As Progesterone Receptor Modulators PGR, GPER1, PGRMC2 PGR 1/4885CMA1 3688/4885AHR 610/4885
US-20050215539-A1 7-aryl 1,5-dihydro-4, 1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators PGR, GPER1, PGRMC2 PGR 1/4885CMA1 3688/4885AHR 610/4885

“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.