SCHEMBL2010709

SCHEMBL2010709

COCCN(C)C(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.42
RORC P51449 5/20 0.42
SCN9A Q15858 2/20 0.41
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HDAC4 P56524 1/20 0.39
MAPT P10636 2/20 0.38
NR1H3 Q13133 2/20 0.38
NR1H2 P55055 1/20 0.38
CYP11B1 P15538 1/20 0.38
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL1999742 0.90 CPT1A (0.43) CPT1ARORCSCN9ACYP2C9HDAC4
SCHEMBL1996576 0.90 CPT1A (0.51) CPT1ARORCCYP2C9SMN1; SMN2L3MBTL1
SCHEMBL2011262 0.85 MAPT (0.50) CPT1ARORCHDAC4MAPTNR1H3
SCHEMBL2001074 0.85 CPT1A (0.47) CPT1ARORCSCN9ACYP2C9SMN1; SMN2
SCHEMBL2002539 0.84 RORC (0.44) CPT1ARORCCYP2C9HDAC4MAPT
SCHEMBL1999356 0.84 RORC (0.43) CPT1ARORCSCN9ACYP2C9MAPT
SCHEMBL2000796 0.83 CYP2C9 (0.55) CPT1ARORCCYP2C9HDAC4MAPT
SCHEMBL2005685 0.82 RORC (0.41) CPT1ARORCCYP2C9HDAC4MAPT
SCHEMBL2000557 0.82 RORC (0.42) CPT1ARORCCYP2C9HDAC4MAPT
SCHEMBL2002839 0.81 RORC (0.48) CPT1ARORCCYP2C9HDAC4MAPT

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-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
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
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 CPT1A 3067/4885RORC 122/4885SCN9A 2158/4885

“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.