SCHEMBL2002284

SCHEMBL2002284

CC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C#N)cc1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.48
CPT1A P50416 2/20 0.47
CYP2C9 P11712 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
CCR6 P51684 3/20 0.37
NR3C1 P04150 1/20 0.37
AR P10275 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALB P02768 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL1999081 0.88 RORC (0.57) RORCCPT1ACYP2C9NR1H2NR1H3
SCHEMBL2002410 0.88 CPT1A (0.57) RORCCPT1ACYP2C9NPC1RAB9A
SCHEMBL2002971 0.88 CPT1A (0.49) RORCCPT1ACYP2C9NPC1RAB9A
SCHEMBL2001102 0.88 CPT1A (0.56) RORCCPT1ACYP2C9NPC1RAB9A
SCHEMBL2003116 0.87 CPT1A (0.48) RORCCPT1ACYP2C9CYP11B1NPC1
SCHEMBL2000704 0.85 CPT1A (0.48) RORCCPT1ACYP2C9CYP11B1AR
SCHEMBL1999577 0.84 CPT1A (0.51) RORCCPT1ACYP2C9PKMNPC1
SCHEMBL2004021 0.84 CPT1A (0.53) RORCCPT1ACYP2C9NPC1RAB9A
SCHEMBL1999255 0.84 CPT1A (0.51) RORCCPT1ACYP2C9CYP11B1PKM
SCHEMBL2002172 0.83 CPT1A (0.50) RORCCPT1ACYP2C9EGLN1NPC1

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 9 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
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 3067/4885CYP2C9 346/4885

“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.