SCHEMBL2003063

SCHEMBL2003063

CC(C)(CO)NC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCC(c3ccccc3)CC1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.45
USP5 P45974 12/20 0.39
ADRB3 P13945 2/20 0.38
DGAT2 Q96PD7 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
HDAC6 Q9UBN7 2/20 0.35
THRA P10827 1/20 0.35
VDR P11473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 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
SCHEMBL2006525 0.93 CPT1A (0.45) CPT1AUSP5ADRB3MMP2MMP13
SCHEMBL2006232 0.92 CPT1A (0.47) CPT1AUSP5ADRB3MMP2MMP13
SCHEMBL2001898 0.89 CPT1A (0.43) CPT1ADGAT2NPC1RAB9AATM
SCHEMBL2003147 0.89 CPT1A (0.43) CPT1AADRB3DGAT2NPC1RAB9A
SCHEMBL2003068 0.89 CPT1A (0.44) CPT1ADGAT2NPC1RAB9AATM
SCHEMBL2002375 0.89 CPT1A (0.44) CPT1AUSP5ADRB3MMP2MMP13
SCHEMBL2002327 0.87 CPT1A (0.42) CPT1ADGAT2NPC1RAB9AATM
SCHEMBL2003381 0.87 CPT1A (0.45) CPT1ADGAT2NPC1RAB9AATM
SCHEMBL2002740 0.86 CPT1A (0.44) CPT1ADGAT2NPC1RAB9AATM
SCHEMBL2000863 0.84 CPT1A (0.43) CPT1AUSP5MMP2MMP13HDAC6

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 3067/4885USP5 2222/4885ADRB3 84/4885

“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.