SCHEMBL2010644

SCHEMBL2010644

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.44
CPT1A P50416 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
APAF1 O14727 1/20 0.38
UBE2N P61088 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL2003254 0.88 RORC (0.42) RORCCPT1ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2001013 0.83 RORC (0.51) RORCCPT1AKDM2BCYP2C9MEN1
SCHEMBL2005185 0.83 CPT1A (0.51) RORCCPT1ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2000318 0.82 RORC (0.49) RORCCPT1ACYP2C9
SCHEMBL1996576 0.82 CPT1A (0.51) RORCCPT1ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1999198 0.80 CPT1A (0.49) RORCCPT1ACYP2C9MEN1TSHR
SCHEMBL1997063 0.80 RORC (0.48) RORCCPT1AL3MBTL1ALDH1A1MEN1
SCHEMBL1997790 0.79 POLB (0.43) RORCCPT1ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1999577 0.79 CPT1A (0.51) RORCCPT1ARAB9ACYP2C9MEN1
SCHEMBL2006124 0.79 RORC (0.46) RORCCPT1AALDH1A1RAB9AMEN1

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 3067/4885SMN1; SMN2 4017/4885

“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.