SCHEMBL2004223

SCHEMBL2004223

O=C(NC1(CO)CCC1)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.46
CPT1A P50416 6/20 0.44
CPT1B Q92523 3/20 0.36
CPT2 P23786 2/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
DGAT2 Q96PD7 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
SCHEMBL2001186 0.85 RORC (0.44) RORCCPT1ACNR2CYP2C9MAPT
SCHEMBL1999891 0.84 CPT1A (0.44) RORCCPT1ACPT1BCYP2C9KDM4E
SCHEMBL2000318 0.84 RORC (0.49) RORCCPT1ACPT1BCPT2CYP2C9
SCHEMBL1998580 0.82 CPT1A (0.48) RORCCPT1ACPT1BCPT2CNR2
SCHEMBL2002229 0.81 CPT1A (0.49) RORCCPT1ACPT1BCPT2CNR2
SCHEMBL1999198 0.81 CPT1A (0.49) RORCCPT1ACPT1BCPT2MEN1
SCHEMBL2001183 0.81 CPT1A (0.48) RORCCPT1ACPT1BCPT2MEN1
SCHEMBL2001759 0.81 RORC (0.49) RORCCPT1AMEN1TSHRKMT2A
SCHEMBL2001013 0.81 RORC (0.51) RORCCPT1ACPT1BCPT2MEN1
SCHEMBL2005185 0.81 CPT1A (0.51) RORCCPT1ACPT1BCPT2MEN1

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 3067/4885CPT1B 4343/4885

“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.