SCHEMBL1997405

SCHEMBL1997405

CC(C)(CN1CCOCC1)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.43
RORC P51449 3/20 0.43
BRD4 O60885 2/20 0.42
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
BRDT Q58F21 2/20 0.42
EPHX2 P34913 3/20 0.42
HIF1A Q16665 3/20 0.42
EPAS1 Q99814 3/20 0.42
NAMPT P43490 2/20 0.41
HDAC4 P56524 1/20 0.39
MAPT P10636 2/20 0.39
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL2001369 0.94 HDAC4 (0.45) CPT1ARORCBRD4BRD2BRD3
SCHEMBL2006808 0.94 HDAC4 (0.45) CPT1ARORCBRD4BRD2BRD3
SCHEMBL1999725 0.89 HTT (0.48) CPT1ARORCEPHX2HDAC4MAPT
SCHEMBL2005029 0.89 CPT1A (0.46) CPT1ARORCBRD4BRD2EPHX2
SCHEMBL2008648 0.88 CPT1A (0.45) CPT1ARORCEPHX2HDAC4MAPT
SCHEMBL2004061 0.88 CPT1A (0.46) CPT1ARORCNAMPT
SCHEMBL2003116 0.87 CPT1A (0.48) CPT1ARORCEPHX2HDAC4MAPT
SCHEMBL2002442 0.83 CPT1A (0.52) CPT1ARORCNAMPT
SCHEMBL2002489 0.83 RORC (0.44) CPT1ARORCBRD4BRD2EPHX2
SCHEMBL2004376 0.82 CPT1A (0.45) CPT1ARORCEPHX2HDAC4MAPT

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 122/4885BRD4 661/4885

“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.