SCHEMBL753893

SCHEMBL753893

CC1(C)Oc2cc(N)ccc2N(c2cc3c(cc2Cl)OC(F)(F)O3)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.37
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
SLC9A1 P19634 2/20 0.35
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAD52 P43351 1/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL2269965 0.84 GAA (0.37) NR3C2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL754584 0.83 NR3C2 (0.46) NR3C2CYP3A4NFKB1PMP22SLC9A1
SCHEMBL755148 0.82 NR3C2 (0.45) NR3C2SLC9A1MAPTGAASMN1; SMN2
SCHEMBL755000 0.80 NR3C2 (0.62) NR3C2GAASCN9AHPGD
SCHEMBL756500 0.78 SLC9A1 (0.36) NR3C2CYP3A4NFKB1PMP22SLC9A1
SCHEMBL754733 0.77 PKM (0.50) NR3C2CYP3A4SLC9A1MAPTSMN1; SMN2
SCHEMBL756144 0.75 NR3C2 (0.42) NR3C2CYP3A4NFKB1PMP22SLC9A1
SCHEMBL758069 0.75 SLC9A1 (0.35) NR3C2CYP3A4NFKB1PMP22SLC9A1
SCHEMBL759723 0.74 NR3C2 (0.49) NR3C2SLC9A1AR
SCHEMBL756843 0.74 NR3C2 (0.63) NR3C2SLC9A1MAPTARALDH1A1

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 8 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
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
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 (2 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 1/4885CYP3A4 398/4885NFKB1 1339/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 NR3C2 1/4885CYP3A4 398/4885NFKB1 1339/4885

“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.