SCHEMBL755337

SCHEMBL755337

CC1(C)Oc2cc(N)ccc2N(c2cccc(Cc3ccccc3C(=O)O)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.37
BIRC2 Q13490 3/20 0.37
PIK3CD O00329 1/20 0.37
TSHR P16473 3/20 0.36
SLC9A1 P19634 1/20 0.33
NR3C2 P08235 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ELANE P08246 2/20 0.32
CTSG P08311 1/20 0.32
PRTN3 P24158 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TYMS P04818 2/20 0.31
PTPN1 P18031 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
SCHEMBL755336 0.89 NR3C2 (0.36) XIAPBIRC2PIK3CDTSHRSLC9A1
SCHEMBL29562826 0.71 TSHR (0.57) TSHRCA1CA2CA9ALDH1A1
SCHEMBL2267305 0.71 TDP1 (0.42) SLC9A1NR3C2ALDH1A1
SCHEMBL756785 0.70 ELANE (0.58) TSHRELANECTSGPRTN3GAA
SCHEMBL756042 0.70 NR3C2 (0.55) XIAPBIRC2NR3C2ALDH1A1KDM4E
SCHEMBL759723 0.68 NR3C2 (0.49) XIAPBIRC2PIK3CDSLC9A1NR3C2
SCHEMBL756843 0.68 NR3C2 (0.63) PIK3CDTSHRSLC9A1NR3C2ALDH1A1
SCHEMBL758023 0.67 NR3C2 (0.47) XIAPBIRC2PIK3CDTSHRSLC9A1
SCHEMBL755148 0.67 NR3C2 (0.45) PIK3CDSLC9A1NR3C2GAAALDH1A1
SCHEMBL756144 0.67 NR3C2 (0.42) XIAPBIRC2PIK3CDTSHRSLC9A1

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 XIAP 4449/4885BIRC2 3661/4885PIK3CD 3155/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 XIAP 4449/4885BIRC2 3661/4885PIK3CD 3155/4885

“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.