SCHEMBL1998217

SCHEMBL1998217

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SCN9A Q15858 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
ACKR3 P25106 4/20 0.32
EGFR P00533 1/20 0.32
PIK3CA P42336 1/20 0.32
MCHR1 Q99705 1/20 0.32
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
MLYCD O95822 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
SCHEMBL2001763 0.86 CNR2 (0.34) TP53SCN9AEGFRPIK3CAMCHR1
SCHEMBL1998304 0.83 HIF1A (0.32) TRPV1PIK3CAHIF1AEPAS1MLYCD
SCHEMBL2002471 0.83 MEN1 (0.42) HPGDMLYCD
SCHEMBL1999356 0.82 RORC (0.43) SCN9A
SCHEMBL2000721 0.81 SCN9A (0.35) SCN9APIK3CAHIF1AEPAS1
SCHEMBL1999400 0.81 HIF1A (0.31) PIK3CAHIF1AEPAS1
SCHEMBL1997586 0.81 GPBAR1 (0.31) SCN9APIK3CAHIF1AEPAS1MLYCD
SCHEMBL2005665 0.80 HTT (0.37) ACKR3EGFRPIK3CAHIF1AEPAS1
SCHEMBL2008902 0.79 CPT1A (0.35) PIK3CAHIF1AEPAS1
SCHEMBL2002698 0.78 HIF1A (0.34) EGFRPIK3CAHIF1AEPAS1

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 TP53 2491/4885HCRTR1 79/4885HCRTR2 136/4885

“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.