SCHEMBL2000961

SCHEMBL2000961

O=C(O)c1cnc2c(c1)N(S(=O)(=O)N1CCC(F)(F)C1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.42
RORC P51449 4/20 0.35
NAMPT P43490 3/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
KIF18A Q8NI77 2/20 0.32
POLB P06746 1/20 0.32
RXRA P19793 1/20 0.31
MGAM O43451 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 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
SCHEMBL4238185 0.95 CPT1A (0.42) CPT1ARORCNAMPTALOX5APFEN1
SCHEMBL2001962 0.85 CPT1A (0.46) CPT1ARORCNAMPTALOX5APFEN1
SCHEMBL2002060 0.84 CPT1A (0.44) CPT1ARORCPOLBMGAM
SCHEMBL2008008 0.83 CPT1A (0.44) CPT1ARORCPOLBMGAM
SCHEMBL2000724 0.83 CPT1A (0.44) CPT1ARORCPOLB
SCHEMBL2005390 0.83 CPT1A (0.42) CPT1ARORCPOLBMGAM
SCHEMBL2002658 0.82 CPT1A (0.43) CPT1ARORCNAMPTPIK3C3
SCHEMBL2003877 0.81 CPT1A (0.45) CPT1ARORCPOLBMGAMHDAC3
SCHEMBL2000427 0.81 AKR1C3 (0.46) CPT1ARORCMGAMNR1H3
SCHEMBL2005672 0.80 CPT1A (0.44) CPT1ARORCNAMPTPIK3C3KIF18A

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-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 122/4885NAMPT 1519/4885

“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.