SCHEMBL2002229

SCHEMBL2002229

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 6/20 0.49
RORC P51449 9/20 0.47
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
CYP2C9 P11712 1/20 0.37
CPT2 P23786 3/20 0.37
CPT1B Q92523 3/20 0.37
CNR2 P34972 2/20 0.36
NAMPT P43490 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL2005281 0.93 RORC (0.53) CPT1ARORC
SCHEMBL1998580 0.92 CPT1A (0.48) CPT1ARORCALDH1A1PKMCYP2C9
SCHEMBL2009465 0.91 CPT1A (0.57) CPT1ARORCCPT2CPT1B
SCHEMBL1999909 0.88 RORC (0.55) CPT1ARORCCYP2C9CPT2CPT1B
SCHEMBL1999577 0.88 CPT1A (0.51) CPT1ARORCPKMCYP2C9CPT2
SCHEMBL2000318 0.87 RORC (0.49) CPT1ARORCCYP2C9CPT2CPT1B
SCHEMBL1999198 0.86 CPT1A (0.49) CPT1ARORCPKMCYP2C9CPT2
SCHEMBL2006542 0.84 CPT1A (0.53) CPT1ARORCCYP2C9CPT2CPT1B
SCHEMBL2000593 0.84 CPT1A (0.51) CPT1ARORCALDH1A1CYP2C9NAMPT
SCHEMBL2005371 0.84 CPT1A (0.53) 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 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 122/4885ALDH1A1 2053/4885

“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.