SCHEMBL2006232

SCHEMBL2006232

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.47
USP5 P45974 11/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
ADRB3 P13945 2/20 0.37
HDAC6 Q9UBN7 1/20 0.35
RORC P51449 2/20 0.35
THRA P10827 1/20 0.35
VDR P11473 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
SCHEMBL2003063 0.92 CPT1A (0.45) CPT1AUSP5MMP2MMP13ADRB3
SCHEMBL2006525 0.92 CPT1A (0.45) CPT1AUSP5MMP2MMP13ADRB3
SCHEMBL2001296 0.88 CPT1A (0.47) CPT1ARORC
SCHEMBL2002514 0.88 CPT1A (0.45) CPT1ARORC
SCHEMBL1998105 0.88 CPT1A (0.45) CPT1ARORC
SCHEMBL2000863 0.87 CPT1A (0.43) CPT1AUSP5MMP2MMP13HDAC6
SCHEMBL2002375 0.87 CPT1A (0.44) CPT1AUSP5MMP2MMP13ADRB3
SCHEMBL2001377 0.86 CPT1A (0.44) CPT1ARORC
SCHEMBL2003304 0.86 CPT1A (0.47) CPT1ARORC
SCHEMBL2001736 0.85 CPT1A (0.47) CPT1A

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 7 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

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 2222/4885MMP2 3362/4885

“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.