SCHEMBL2005672

SCHEMBL2005672

CC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCC(F)(F)CC1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.44
RORC P51449 4/20 0.35
HPGDS O60760 1/20 0.34
HPGD P15428 1/20 0.34
NAMPT P43490 2/20 0.33
PIK3C3 Q8NEB9 3/20 0.32
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KIF18A Q8NI77 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL2001962 0.95 CPT1A (0.46) CPT1ARORCHPGDSHPGDNAMPT
SCHEMBL1999479 0.91 CPT1A (0.47) CPT1ARORCHPGDSNAMPTPIK3C3
SCHEMBL2005988 0.91 CPT1A (0.42) CPT1ARORCHPGDNAMPTMAPT
SCHEMBL2003304 0.89 CPT1A (0.47) CPT1ARORCHPGDSCNR1
SCHEMBL2002310 0.88 CPT1A (0.47) CPT1ARORCHPGDSNAMPTCNR1
SCHEMBL2006076 0.88 CPT1A (0.47) CPT1ARORCHPGDSNAMPTCNR1
SCHEMBL1998105 0.88 CPT1A (0.45) CPT1ARORCHPGDSHPGDCNR2
SCHEMBL1998249 0.87 CPT1A (0.46) CPT1ARORCHPGDSMAPTHDAC3
SCHEMBL2002658 0.87 CPT1A (0.43) CPT1ARORCHPGDNAMPTPIK3C3
SCHEMBL2001377 0.86 CPT1A (0.44) CPT1ARORCHPGDSNAMPTCNR2

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 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

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 122/4885HPGDS 372/4885

“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.