SCHEMBL2005473

SCHEMBL2005473

CC(C)(C)N(CCCN)C(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.41
CPT1A P50416 2/20 0.38
NR1H3 Q13133 2/20 0.37
NR1H2 P55055 1/20 0.37
CYP11B1 P15538 1/20 0.37
MAPT P10636 2/20 0.36
CYP2C9 P11712 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
EPHX2 P34913 1/20 0.34
TRPV4 Q9HBA0 3/20 0.34
HTR6 P50406 1/20 0.34
CHEK1 O14757 1/20 0.33
FLT3 P36888 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 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
SCHEMBL12625796 0.91 RORC (0.41) RORCCPT1ANR1H3NR1H2CYP2C9
SCHEMBL2005685 0.91 RORC (0.41) RORCCPT1ANR1H3NR1H2CYP11B1
SCHEMBL2000557 0.89 RORC (0.42) RORCCPT1ANR1H3NR1H2CYP11B1
SCHEMBL1999742 0.89 CPT1A (0.43) RORCCPT1ANR1H3NR1H2CYP11B1
SCHEMBL2000839 0.88 RORC (0.39) RORCCPT1ANR1H3NR1H2CYP11B1
SCHEMBL12570127 0.88 RORC (0.39) RORCCPT1ANR1H3NR1H2CYP11B1
SCHEMBL2002539 0.85 RORC (0.44) RORCCPT1ANR1H3NR1H2CYP11B1
SCHEMBL1999400 0.83 HIF1A (0.31)
SCHEMBL1999356 0.81 RORC (0.43) RORCCPT1ANR1H3NR1H2CYP11B1
SCHEMBL2004004 0.81 RORC (0.47) RORCCPT1ANR1H3NR1H2CYP11B1

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 4 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-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 3067/4885NR1H3 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.