SCHEMBL2002172

SCHEMBL2002172

CC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1cccnc1)CCO2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.50
RORC P51449 5/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
CYP2C9 P11712 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
CPT1B Q92523 1/20 0.37
CPT2 P23786 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
NR1H3 Q13133 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 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
SCHEMBL2001102 0.91 CPT1A (0.56) CPT1ARORCNPC1RAB9ACYP2C9
SCHEMBL2000867 0.88 CPT1A (0.49) CPT1ARORCCYP2C9CPT1B
SCHEMBL2001745 0.87 RORC (0.51) CPT1ARORCNPC1RAB9ACPT1B
SCHEMBL2003731 0.87 CPT1A (0.57) CPT1ARORCCPT1BCPT2
SCHEMBL2002074 0.86 CPT1A (0.48) CPT1ARORCCPT1BCPT2
SCHEMBL2002410 0.86 CPT1A (0.57) CPT1ARORCNPC1RAB9ACYP2C9
SCHEMBL2002971 0.86 CPT1A (0.49) CPT1ARORCALDH1A1SMN1; SMN2NPC1
SCHEMBL1999081 0.86 RORC (0.57) CPT1ARORCCYP2C9NR1H3
SCHEMBL1999255 0.85 CPT1A (0.51) CPT1ARORCALDH1A1SMN1; SMN2NPC1
SCHEMBL2001969 0.85 CPT1A (0.47) CPT1ARORCALDH1A1SMN1; SMN2NAMPT

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 CPT1A 3067/4885RORC 122/4885ALDH1A1 2053/4885

“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.