SCHEMBL2004061

SCHEMBL2004061

CC(C)(CN1CCOCC1)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.46
RORC P51449 5/20 0.45
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
NAMPT P43490 2/20 0.38
ANO1 Q5XXA6 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL1999198 0.89 CPT1A (0.49) CPT1ARORCKMT2AMEN1TSHR
SCHEMBL1997405 0.88 CPT1A (0.43) CPT1ARORCNAMPT
SCHEMBL1999577 0.87 CPT1A (0.51) CPT1ARORCKMT2AMEN1TSHR
SCHEMBL2002442 0.84 CPT1A (0.52) CPT1ARORCDGAT2NAMPTANO1
SCHEMBL2006542 0.84 CPT1A (0.53) CPT1ARORCKMT2AMEN1TSHR
SCHEMBL2002229 0.83 CPT1A (0.49) CPT1ARORCNAMPT
SCHEMBL2001369 0.82 HDAC4 (0.45) CPT1ARORC
SCHEMBL2003015 0.82 RORC (0.53) CPT1ARORCKMT2AMEN1
SCHEMBL2006808 0.82 HDAC4 (0.45) CPT1ARORCLMNA
SCHEMBL1998580 0.81 CPT1A (0.48) CPT1ARORCLMNANAMPT

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 8 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
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 122/4885KMT2A 3804/4885

“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.