SCHEMBL2006006

SCHEMBL2006006

CC(C)CS(=O)(=O)N1CCOc2ncc(C(=O)NC3CCCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.42
CPT1A P50416 2/20 0.41
EPHX2 P34913 1/20 0.41
SMYD3 Q9H7B4 1/20 0.38
CNR2 P34972 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
CNR1 P21554 1/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12570092 0.91 HPGDS (0.46) HPGDSCPT1ASMYD3
SCHEMBL2006990 0.83 CPT1A (0.44) HPGDSCPT1ASMYD3
SCHEMBL2001350 0.83 CPT1A (0.45) CPT1A
SCHEMBL2001367 0.80 RORC (0.55) CPT1ACNR2NPC1RAB9ACNR1
SCHEMBL2004220 0.80 CPT1A (0.43) HPGDSCPT1ASMYD3CNR2NPC1
SCHEMBL2006093 0.79 CNR1 (0.59) CPT1AEPHX2CNR2NPC1RAB9A
SCHEMBL2002709 0.78 GAA (0.46) CPT1ASMYD3CNR2RAB9ACNR1
SCHEMBL2003923 0.77 CNR1 (0.49) CPT1AEPHX2CNR2CNR1GAA
SCHEMBL2001514 0.77 CPT1A (0.50) CPT1AEPHX2CNR2CNR1GAA
SCHEMBL2007149 0.76 KMT2A (0.52) CPT1ACNR2CNR1GAA

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 4 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-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 HPGDS 372/4885CPT1A 3067/4885EPHX2 345/4885

“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.