SCHEMBL2003367

SCHEMBL2003367

O=C(Cl)c1cnc2c(c1)N(S(=O)(=O)c1ccccc1)CCO2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.52
RORC P51449 4/20 0.50
NR1H3 Q13133 1/20 0.47
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR6 P50406 4/20 0.42
CPT2 P23786 2/20 0.42
AKR1C3 P42330 2/20 0.39
NPC1 O15118 1/20 0.39
AKR1C1 Q04828 1/20 0.39
NAMPT P43490 1/20 0.39
CPT1B Q92523 2/20 0.38

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
SCHEMBL2007284 0.91 CPT1A (0.52) CPT1ARORCNR1H3CYP2C9CYP3A4
SCHEMBL2005182 0.89 RORC (0.60) CPT1ARORCNR1H3CYP2C9HTR6
SCHEMBL2000444 0.87 RORC (0.49) CPT1ARORCNR1H3CYP2C9
SCHEMBL2001117 0.86 CPT1A (0.56) CPT1ARORCNR1H3CYP2C9CYP3A4
SCHEMBL2001013 0.86 RORC (0.51) CPT1ARORCCYP2C9CPT2CPT1B
SCHEMBL2005449 0.85 TSHR (0.47) CPT1ARORCNR1H3AKR1C3
SCHEMBL1999769 0.85 CPT1A (0.47) CPT1ARORCNR1H3NPC1
SCHEMBL2001536 0.83 RORC (0.58) CPT1ARORCCYP2C9HTR6CPT2
SCHEMBL2001102 0.83 CPT1A (0.56) CPT1ARORCNR1H3CYP2C9HTR6
SCHEMBL2005083 0.83 CPT1A (0.59) CPT1ARORCHTR6CPT2AKR1C3

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 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
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 122/4885NR1H3 328/4885

“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.