SCHEMBL3983067

SCHEMBL3983067

O=C1COC(c2ccccc2)(c2ccccc2)c2cc(Br)ccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.59
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
SLC27A2 O14975 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALPL P05186 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR9 Q9NR96 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
KDM4E B2RXH2 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 0.85 PGR (0.45) PGRCMA1AHR
SCHEMBL10709026 0.84 PGR (0.71) PGRCMA1AHRMAPT
SCHEMBL3991201 0.83 ADAMTS5 (0.47) PGRCMA1AHRADAMTS5MAPT
SCHEMBL3990500 0.82 PGR (0.42) PGRCMA1AHRMAPTGAA
SCHEMBL3984942 0.81 PGR (0.62) PGRCMA1AHR
SCHEMBL3987793 0.80 PGR (0.63) PGRCMA1AHR
SCHEMBL3986730 0.78 PGR (0.62) PGRCMA1AHRGAAMEN1
SCHEMBL6272852 0.77 OPRM1 (0.40) PGROPRM1OPRD1SLC27A2ADAMTS5
SCHEMBL3986149 0.75 PGR (1.00) PGR
SCHEMBL3991202 0.73 PGR (0.72) 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 1/4885OPRM1 359/4885OPRD1 183/4885
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 1/4885OPRM1 359/4885OPRD1 183/4885
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 1/4885OPRM1 359/4885OPRD1 183/4885

“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.