SCHEMBL3981867

SCHEMBL3981867

CC1OCC(=O)Nc2ccc(-c3cccn3C(=O)OC(C)(C)C)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.51
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CRBN Q96SW2 2/20 0.38
BRD4 O60885 6/20 0.38
CREBBP Q92793 6/20 0.38
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
TNK2 Q07912 1/20 0.35
BUB1 O43683 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ATR Q13535 1/20 0.33
NR1H2 P55055 3/20 0.32
RXRA P19793 2/20 0.32
NR1H3 Q13133 2/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32

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
SCHEMBL3991043 0.84 ALDH1A1 (0.36) PGRHSP90AA1HSP90AB1CRBNBRD4
SCHEMBL12405056 0.80 NR3C2 (0.48) PGRKDM4EMAPT
SCHEMBL3981827 0.80 PGR (0.67) PGRBRD4CREBBP
SCHEMBL3988392 0.80 PGR (0.50) PGRHSP90AA1HSP90AB1CRBNBUB1
SCHEMBL7205542 0.77 CRBN (0.48) HSP90AA1HSP90AB1CRBNBRD4CREBBP
SCHEMBL3984955 0.76 PGR (0.44) PGRHSP90AA1HSP90AB1TNK2
SCHEMBL3984967 0.74 PGR (0.57) PGRHSP90AA1HSP90AB1PIK3R1PIK3CA
SCHEMBL3984926 0.74 PGR (0.57) PGR
SCHEMBL3986552 0.73 PGR (0.39) PGRHSP90AA1HSP90AB1CRBNTNK2
SCHEMBL3983360 0.73 PGR (0.57) PGRHSP90AA1HSP90AB1

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 1/4885HSP90AA1 2633/4885HSP90AB1 2827/4885
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 1/4885HSP90AA1 2633/4885HSP90AB1 2827/4885
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 1/4885HSP90AA1 2633/4885HSP90AB1 2827/4885

“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.