SCHEMBL14840967

SCHEMBL14840967

CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)OCC(c1c(F)cccc1F)N2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.38
SCN9A Q15858 9/20 0.34
NR3C1 P04150 2/20 0.34
PGR P06401 2/20 0.34
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 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
SCHEMBL14840610 0.88 STIM1 (0.43) NR3C2NR3C1PGRSTIM1ORAI1
SCHEMBL14841351 0.86 STIM1 (0.36) NR3C2SCN9ASTIM1ORAI1ATR
SCHEMBL14840965 0.81 HTR2C (0.32)
SCHEMBL14840530 0.73 LTB4R (0.37) NR3C2NR3C1PGR
SCHEMBL14840526 0.73 LTB4R (0.38) NR3C2NR3C1PGR
SCHEMBL14840629 0.73 LTB4R (0.38) NR3C2NR3C1PGR
SCHEMBL14840525 0.73 LTB4R (0.38) NR3C2NR3C1PGR
SCHEMBL14840436 0.71 NR3C2 (0.42) NR3C2NR3C1PGRSTIM1ORAI1
SCHEMBL12826349 0.71 STIM1 (0.45) NR3C2SCN9ASTIM1ORAI1
SCHEMBL14840695 0.70 CYP11B2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US claimed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO claimed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 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-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 NR3C2 1678/4885SCN9A 349/4885NR3C1 2091/4885

“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.