SCHEMBL2002293

SCHEMBL2002293

O=C(NCCO)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1F)CCO2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 13/20 0.55
RORC P51449 4/20 0.48
CPT2 P23786 6/20 0.41
CPT1B Q92523 8/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM4 Q14833 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2001121 0.88 CPT1A (0.55) CPT1ARORCCPT2CPT1BGRM4
SCHEMBL2004627 0.86 CPT1A (0.55) CPT1ARORCCPT2CPT1BGRM4
SCHEMBL2006104 0.85 CPT1A (0.59) CPT1ARORCCPT2CPT1BPOLB
SCHEMBL2000318 0.81 RORC (0.49) CPT1ARORCCPT2CPT1BPOLB
SCHEMBL2002442 0.81 CPT1A (0.52) CPT1ARORCCPT2CPT1B
SCHEMBL1999390 0.81 CPT1A (0.51) CPT1ARORC
SCHEMBL12570208 0.81 CPT1A (0.51) CPT1ARORC
SCHEMBL2002438 0.79 CPT1A (0.47) CPT1ARORCCPT2CPT1BGRM4
SCHEMBL2000577 0.78 CPT1A (0.47) CPT1ARORCGRM4
SCHEMBL1995771 0.77 CPT1A (0.60) CPT1ARORCCPT2CPT1B

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 3067/4885RORC 122/4885CPT2 4070/4885

“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.