SCHEMBL1999403

SCHEMBL1999403

O=C(NC1(CO)CCCC1)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
CNR2 P34972 3/20 0.36
TRPV3 Q8NET8 3/20 0.35
HDAC4 P56524 5/20 0.33
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 0.33
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 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
SCHEMBL2001186 0.83 RORC (0.44) SCN9ACNR2TRPV3HDAC4MAPT
SCHEMBL1995266 0.83 DGAT2 (0.33) HIF1AEPAS1GAAMAPTSMN1; SMN2
SCHEMBL2001814 0.82 CNR1 (0.40) CNR2HDAC4HIF1AEPAS1CNR1
SCHEMBL2008902 0.82 CPT1A (0.35) HIF1AEPAS1ALDH1A1GAAMAPT
SCHEMBL1999329 0.82 RORC (0.36) HIF1AEPAS1
SCHEMBL2002698 0.81 HIF1A (0.34) CNR2HIF1AEPAS1ALDH1A1GAA
SCHEMBL2005665 0.81 HTT (0.37) CNR2HDAC4HIF1AEPAS1CNR1
SCHEMBL2008087 0.80 HDAC4 (0.45) HDAC4HIF1AEPAS1ALDH1A1GAA
SCHEMBL2000002 0.79 HPGD (0.47) SCN9ACNR2CNR1ALDH1A1POLB
SCHEMBL2002907 0.79 HDAC4 (0.44) HDAC4HIF1AEPAS1ALDH1A1GAA

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 2/4885TRPV3 30/4885

“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.