SCHEMBL4530548

SCHEMBL4530548

CC1(C)Oc2cc(N)c(NC(=O)O)cc2N(c2ccc(F)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.53
POLB P06746 1/20 0.35
HDAC2 Q92769 7/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC3 O15379 4/20 0.35
SLC9A1 P19634 1/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
AR P10275 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL4522311 0.84 NR3C2 (0.49) NR3C2POLBALDH1A1
SCHEMBL4530965 0.84 NR3C2 (0.65) NR3C2POLBXIAPBIRC2ALDH1A1
SCHEMBL753825 0.83 NR3C2 (0.57) NR3C2POLBSLC9A1ARCACNA1B
SCHEMBL2267353 0.80 NR3C2 (0.56) NR3C2SLC9A1XIAPBIRC2AR
SCHEMBL755350 0.79 NR3C2 (0.70) NR3C2ARCACNA1BAPBA1
SCHEMBL755856 0.78 NR3C2 (0.54) NR3C2ARCACNA1BAPBA1
SCHEMBL753047 0.78 NR3C2 (0.47) NR3C2SLC9A1ARCACNA1BAPBA1
SCHEMBL756843 0.77 NR3C2 (0.63) NR3C2SLC9A1ARALDH1A1CACNA1B
SCHEMBL16978177 0.75 NR3C2 (0.65) NR3C2POLBSLC9A1ARCACNA1B
SCHEMBL754239 0.73 NR3C2 (0.71) NR3C2POLBARCACNA1BAPBA1

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-8188073-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
CN-101379048-B Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP 2012-03-21 CN disclosed
CN-101379048-A Benzo  oxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 CN disclosed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1984345-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-29 EP disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO 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-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 NR3C2 1/4885POLB 3875/4885HDAC2 701/4885

“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.