SCHEMBL1999356

SCHEMBL1999356

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.43
NR1H3 Q13133 2/20 0.39
NR1H2 P55055 1/20 0.39
TRPV4 Q9HBA0 2/20 0.38
CYP11B1 P15538 1/20 0.38
CPT1A P50416 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
MAPT P10636 2/20 0.37
CYP2C9 P11712 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL2000557 0.86 RORC (0.42) RORCNR1H3NR1H2TRPV4CYP11B1
SCHEMBL2002539 0.85 RORC (0.44) RORCNR1H3NR1H2TRPV4CYP11B1
SCHEMBL2002159 0.85 RORC (0.53) RORCNR1H3NR1H2CYP11B1CPT1A
SCHEMBL2010709 0.84 CPT1A (0.42) RORCNR1H3NR1H2TRPV4CYP11B1
SCHEMBL2005685 0.83 RORC (0.41) RORCNR1H3NR1H2TRPV4CYP11B1
SCHEMBL1998217 0.82 TP53 (0.35) SCN9A
SCHEMBL2011262 0.82 MAPT (0.50) RORCNR1H3CPT1AMAPT
SCHEMBL2002839 0.82 RORC (0.48) RORCNR1H3NR1H2CYP11B1CPT1A
SCHEMBL1999742 0.81 CPT1A (0.43) RORCNR1H3NR1H2TRPV4CYP11B1
SCHEMBL2005473 0.81 RORC (0.41) RORCNR1H3NR1H2TRPV4CYP11B1

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 6 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-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 122/4885NR1H3 328/4885NR1H2 208/4885

“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.