SCHEMBL755979

SCHEMBL755979

CC1(C)C(=O)c2cc(N(C(=O)O)C(C)(C)C)ccc2N(c2ccc(F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
ALDH1A1 P00352 1/20 0.34
NR3C2 P08235 3/20 0.34
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4519278 0.78 NR3C2 (0.43) PGRALDH1A1NR3C2LMNAHTT
SCHEMBL758027 0.76 NR3C2 (0.39) NR3C2CACNA1BAPBA1LMNAHTT
SCHEMBL754510 0.74 PGR (0.46) PGRALDH1A1NR3C2CACNA1BAPBA1
SCHEMBL753681 0.74 PGR (0.46) PGRALDH1A1NR3C2CACNA1BAPBA1
SCHEMBL5480662 0.70 RECQL (0.41) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL756052 0.69 NR3C2 (0.65) PGRALDH1A1NR3C2GAA
SCHEMBL753047 0.67 NR3C2 (0.47) NR3C2CACNA1BAPBA1LMNAHTT
SCHEMBL22804522 0.66 CYP1A2 (0.37) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL688212 0.63 CES2 (0.38) LMNAHTTMEN1KMT2A
SCHEMBL20950900 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS IIJIMA TORU 2011-10-13 US disclosed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP disclosed
US-7998956-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-16 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 (1 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-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 PGR 320/4885ALDH1A1 2133/4885NR3C2 1/4885

“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.