SCHEMBL2006290

SCHEMBL2006290

CC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)Cc1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.43
EGLN1 Q9GZT9 2/20 0.40
GRM4 Q14833 1/20 0.39
RORC P51449 9/20 0.37
HIF1A Q16665 3/20 0.36
EPAS1 Q99814 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 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
SCHEMBL2008932 0.92 CPT1A (0.44) CPT1ARORC
SCHEMBL2003018 0.90 CPT1A (0.51) CPT1AGRM4RORC
SCHEMBL2005529 0.90 CPT1A (0.51) CPT1ARORC
SCHEMBL2003116 0.87 CPT1A (0.48) CPT1ARORCHDAC3HDAC1HDAC2
SCHEMBL2002650 0.87 CPT1A (0.42) CPT1AEGLN1GRM4RORCHIF1A
SCHEMBL2000503 0.85 CPT1A (0.47) CPT1ARORCHDAC3HDAC1HDAC2
SCHEMBL1998755 0.85 CPT1A (0.44) CPT1AGRM4RORC
SCHEMBL2001654 0.83 CPT1A (0.45) CPT1ARORCHDAC3HDAC1HDAC2
SCHEMBL2006990 0.82 CPT1A (0.44) CPT1ARORCHDAC3HDAC1HDAC2
SCHEMBL2002074 0.81 CPT1A (0.48) CPT1ARORC

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 6 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-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 3067/4885EGLN1 2424/4885GRM4 1013/4885

“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.