SCHEMBL1999577

SCHEMBL1999577

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.51
RORC P51449 7/20 0.50
PKM P14618 1/20 0.42
CYP2C9 P11712 1/20 0.39
CPT2 P23786 2/20 0.39
CPT1B Q92523 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2006542 0.91 CPT1A (0.53) CPT1ARORCCYP2C9CPT2CPT1B
SCHEMBL1999198 0.91 CPT1A (0.49) CPT1ARORCPKMCYP2C9CPT2
SCHEMBL2002410 0.91 CPT1A (0.57) CPT1ARORCCYP2C9CPT2CPT1B
SCHEMBL2003731 0.88 CPT1A (0.57) CPT1ARORCCPT2CPT1B
SCHEMBL2006485 0.88 CPT1A (0.53) CPT1ARORCCYP2C9CPT2CPT1B
SCHEMBL2002229 0.88 CPT1A (0.49) CPT1ARORCPKMCYP2C9CPT2
SCHEMBL2004061 0.87 CPT1A (0.46) CPT1ARORCMEN1TSHRKMT2A
SCHEMBL1999081 0.87 RORC (0.57) CPT1ARORCCYP2C9
SCHEMBL2002971 0.87 CPT1A (0.49) CPT1ARORCCYP2C9MEN1KMT2A
SCHEMBL2001102 0.87 CPT1A (0.56) CPT1ARORCCYP2C9CPT2CPT1B

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 122/4885PKM 2316/4885

“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.