SCHEMBL2000721

SCHEMBL2000721

COCCN(C(=O)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
CNR2 P34972 2/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
USP30 Q70CQ3 1/20 0.32
CPT1A P50416 2/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
LIPE Q05469 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CA P42336 1/20 0.31
POLB P06746 1/20 0.30
RORC P51449 1/20 0.30
DCUN1D1 Q96GG9 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
SCHEMBL1998304 0.91 HIF1A (0.32) HIF1AEPAS1ALDH1A1GAAPIK3CA
SCHEMBL2001763 0.89 CNR2 (0.34) SCN9ACNR2HIF1AEPAS1ALDH1A1
SCHEMBL1999400 0.89 HIF1A (0.31) HIF1AEPAS1PIK3CA
SCHEMBL1997586 0.88 GPBAR1 (0.31) SCN9AGPBAR1HIF1AEPAS1PIK3CA
SCHEMBL1999742 0.83 CPT1A (0.43) SCN9ACPT1AGAARORC
SCHEMBL1998217 0.81 TP53 (0.35) SCN9AHIF1AEPAS1PIK3CA
SCHEMBL2008902 0.81 CPT1A (0.35) HIF1AEPAS1CPT1AALDH1A1GAA
SCHEMBL2001814 0.79 CNR1 (0.40) CNR2HIF1AEPAS1CPT1AALDH1A1
SCHEMBL2005665 0.79 HTT (0.37) CNR2HIF1AEPAS1CPT1AALDH1A1
SCHEMBL2002471 0.79 MEN1 (0.42) ALDH1A1GAALIPEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 SCN9A 2158/4885CNR2 2/4885GPBAR1 130/4885

“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.