SCHEMBL2007304

SCHEMBL2007304

CCC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCOCC1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.39
CNR2 P34972 8/20 0.37
TDP1 Q9NUW8 1/20 0.35
NAMPT P43490 1/20 0.35
CNR1 P21554 4/20 0.34

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
SCHEMBL2003324 0.92 CPT1A (0.43) CPT1ALMNAHTT
SCHEMBL1999401 0.92 CPT1A (0.44) CPT1ALMNAHTTNAMPT
SCHEMBL2006076 0.90 CPT1A (0.47) CPT1ALMNACNR2TDP1NAMPT
SCHEMBL2004875 0.90 CPT1A (0.44) CPT1ALMNAHTT
SCHEMBL2001311 0.90 CPT1A (0.43) CPT1ALMNAHTT
SCHEMBL2006404 0.88 CPT1A (0.42) CPT1ALMNAHTT
SCHEMBL1999612 0.88 CPT1A (0.44) CPT1ALMNAHTTCNR2NAMPT
SCHEMBL1996980 0.87 CPT1A (0.42) CPT1ALMNAHTTNAMPT
SCHEMBL2002658 0.87 CPT1A (0.43) CPT1ALMNAHTTCNR2NAMPT
SCHEMBL2001681 0.87 CPT1A (0.42) CPT1ALMNAHTTCNR2NAMPT

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 3067/4885LMNA 3572/4885HTT 3400/4885

“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.