SCHEMBL2000954

SCHEMBL2000954

CC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCC(N3CCCC3)CC1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.44
SMYD3 Q9H7B4 2/20 0.38
NAMPT P43490 5/20 0.38
RORC P51449 3/20 0.34
USP5 P45974 1/20 0.34
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
HPGDS O60760 1/20 0.32

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
SCHEMBL1996980 0.91 CPT1A (0.42) CPT1ASMYD3NAMPTRORCUSP5
SCHEMBL2003304 0.91 CPT1A (0.47) CPT1ARORCL3MBTL1NPC1HPGDS
SCHEMBL2002310 0.90 CPT1A (0.47) CPT1ANAMPTRORCL3MBTL1HPGDS
SCHEMBL2001296 0.89 CPT1A (0.47) CPT1ARORCNPC1HPGDS
SCHEMBL2002514 0.89 CPT1A (0.45) CPT1ARORCNPC1ALDH1A1HPGDS
SCHEMBL1998105 0.89 CPT1A (0.45) CPT1ARORCNPC1ALDH1A1HPGDS
SCHEMBL2001377 0.87 CPT1A (0.44) CPT1ANAMPTRORCHPGDS
SCHEMBL2005066 0.86 CPT1A (0.42) CPT1ASMYD3NAMPTUSP5L3MBTL3
SCHEMBL2006076 0.86 CPT1A (0.47) CPT1ANAMPTRORCHPGDS
SCHEMBL1998249 0.85 CPT1A (0.46) CPT1ASMYD3RORCNPC1HPGDS

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 3067/4885SMYD3 3096/4885NAMPT 1519/4885

“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.