SCHEMBL2003254

SCHEMBL2003254

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.42
CPT1A P50416 3/20 0.42
APAF1 O14727 1/20 0.36
UBE2N P61088 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
PIK3CD O00329 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1B Q92523 1/20 0.33

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
SCHEMBL2010644 0.88 RORC (0.44) RORCCPT1AAPAF1UBE2NSMN1; SMN2
SCHEMBL1998580 0.84 CPT1A (0.48) RORCCPT1ACYP2C9ALDH1A1CPT2
SCHEMBL1999198 0.82 CPT1A (0.49) RORCCPT1ACYP2C9KMT2AMEN1
SCHEMBL2001013 0.80 RORC (0.51) RORCCPT1AKDM2BCYP2C9KMT2A
SCHEMBL2005185 0.80 CPT1A (0.51) RORCCPT1ASMN1; SMN2L3MBTL1CYP2C9
SCHEMBL1999577 0.80 CPT1A (0.51) RORCCPT1ACYP2C9KMT2AMEN1
SCHEMBL2002229 0.79 CPT1A (0.49) RORCCPT1ACYP2C9ALDH1A1CPT2
SCHEMBL2000318 0.78 RORC (0.49) RORCCPT1ACYP2C9CPT2CPT1B
SCHEMBL2000157 0.77 AKR1C3 (0.38) CPT1AAPAF1UBE2NSMN1; SMN2ALDH1A1
SCHEMBL2002450 0.77 CPT1A (0.44) RORCCPT1AL3MBTL1CYP2C9ALDH1A1

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 RORC 122/4885CPT1A 3067/4885APAF1 2895/4885

“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.