SCHEMBL2000866

SCHEMBL2000866

CC(C)(CO)NC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCc3ccccc3C1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
AKR1C3 P42330 4/20 0.38
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 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
SCHEMBL2004409 0.93 CPT1A (0.44) CPT1ASMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL2002787 0.91 CPT1A (0.46) CPT1ASMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL2000925 0.89 SMN1; SMN2 (0.45) CPT1ASMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL2003381 0.86 CPT1A (0.45) CPT1ARAB9ALMNANPC1ATM
SCHEMBL2005427 0.86 CPT1A (0.49) CPT1ASMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL2002740 0.85 CPT1A (0.44) CPT1ARAB9ALMNANPC1ATM
SCHEMBL2000157 0.83 AKR1C3 (0.38) CPT1ASMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL2003147 0.83 CPT1A (0.43) CPT1ARAB9AKMT2ALMNANPC1
SCHEMBL2003068 0.83 CPT1A (0.44) CPT1ARAB9ANPC1ATM
SCHEMBL2001100 0.83 CPT1A (0.44) CPT1ARAB9ANPC1ATM

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 3067/4885SMN1; SMN2 4017/4885RAB9A 2694/4885

“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.