SCHEMBL2005194

SCHEMBL2005194

CNC(=O)[C@@H](NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccccc1)CCO2)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.53
RORC P51449 6/20 0.45
NR1H3 Q13133 1/20 0.40
CPT2 P23786 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
CYP2C9 P11712 1/20 0.37
MAPT P10636 1/20 0.37
CPT1B Q92523 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
SCHEMBL2005198 1.00 CPT1A (0.53) CPT1ARORCNR1H3CPT2CNR2
SCHEMBL2003867 0.92 RORC (0.53) CPT1ARORCNR1H3CNR2CNR1
SCHEMBL2003863 0.92 RORC (0.53) CPT1ARORCNR1H3CNR2CNR1
SCHEMBL2001102 0.84 CPT1A (0.56) CPT1ARORCNR1H3CPT2CYP2C9
SCHEMBL2007284 0.79 CPT1A (0.52) CPT1ARORCNR1H3CPT2CYP2C9
SCHEMBL13670329 0.79 CPT1A (0.52) CPT1ARORCCNR2CNR1CYP2C9
SCHEMBL2001117 0.79 CPT1A (0.56) CPT1ARORCNR1H3CPT2CYP2C9
SCHEMBL2003367 0.77 CPT1A (0.52) CPT1ARORCNR1H3CPT2CYP2C9
SCHEMBL2004021 0.77 CPT1A (0.53) CPT1ARORCNR1H3CNR2CNR1
SCHEMBL2002172 0.76 CPT1A (0.50) CPT1ARORCNR1H3CPT2CYP2C9

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 122/4885NR1H3 328/4885

“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.