SCHEMBL755336

SCHEMBL755336

CC1(C)Oc2cc(N)ccc2N(c2ccc(Cc3ccccc3)c(C(=O)O)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
PRTN3 P24158 1/20 0.36
GAA P10253 1/20 0.35
XIAP P98170 2/20 0.34
BIRC2 Q13490 2/20 0.34
SLC9A1 P19634 1/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSP90AA1 P07900 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PTPN1 P18031 3/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
PIK3CD O00329 1/20 0.33
AR P10275 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
SCHEMBL755337 0.89 XIAP (0.37) NR3C2ELANECTSGPRTN3GAA
SCHEMBL756030 0.78 NR3C2 (0.47) NR3C2ELANECTSGPRTN3XIAP
SCHEMBL2267305 0.74 TDP1 (0.42) NR3C2SLC9A1ALDH1A1
SCHEMBL756785 0.74 ELANE (0.58) ELANECTSGPRTN3GAATSHR
SCHEMBL759723 0.72 NR3C2 (0.49) NR3C2XIAPBIRC2SLC9A1PIK3CD
SCHEMBL756843 0.71 NR3C2 (0.63) NR3C2SLC9A1TSHRALDH1A1PIK3CD
SCHEMBL755148 0.70 NR3C2 (0.45) NR3C2GAASLC9A1ALDH1A1KDM4E
SCHEMBL758023 0.70 NR3C2 (0.47) NR3C2XIAPBIRC2SLC9A1TSHR
SCHEMBL754733 0.70 PKM (0.50) NR3C2SLC9A1TSHRALDH1A1AR
SCHEMBL756144 0.70 NR3C2 (0.42) NR3C2XIAPBIRC2SLC9A1TSHR

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 1/4885ELANE 3417/4885CTSG 4711/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 NR3C2 1/4885ELANE 3417/4885CTSG 4711/4885

“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.