SCHEMBL3987633

SCHEMBL3987633

CC(=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
AAK1 Q2M2I8 4/20 0.40
DGAT1 O75907 1/20 0.40
SOS1 Q07889 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SSTR4 P31391 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
FPR2 P25090 1/20 0.32
BACE1 P56817 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL4015276 0.83 SIRT2 (0.43) USP30AAK1DGAT1SIRT2SSTR4
SCHEMBL30836855 0.81 AAK1 (0.40) USP30AAK1DGAT1SOS1SSTR4
Hydrochloric Acid SCHEMBL28947995 0.80 DGAT1 (0.39) DGAT1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2552329 0.80 AAK1 (0.42) USP30AAK1DGAT1SIRT2SSTR4
SCHEMBL3991292 0.79 DGAT1 (0.42) DGAT1SIRT2NPC1RAB9ASMN1; SMN2
SCHEMBL6360556 0.79 AAK1 (0.38) USP30AAK1DGAT1SOS1SSTR4
SCHEMBL27906114 0.77 AAK1 (0.40) USP30AAK1DGAT1SIRT2SSTR4
SCHEMBL28369174 0.76 AAK1 (0.42) USP30AAK1DGAT1SOS1SIRT2
SCHEMBL2378598 0.76 NPC1 (0.40) AAK1SOS1SSTR4NPC1RAB9A
SCHEMBL2377891 0.76 AAK1 (0.39) USP30AAK1DGAT1SOS1SSTR4

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 6 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
WO-2005095366-A1 7-ARYL 1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE DERIVATIVES AND THEIR USE AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2005-10-13 WO 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 USP30 2961/4885AAK1 1781/4885DGAT1 3585/4885
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 USP30 2961/4885AAK1 1781/4885DGAT1 3585/4885
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 USP30 2961/4885AAK1 1781/4885DGAT1 3585/4885

“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.