SCHEMBL2001990

SCHEMBL2001990

CCc1noc(-c2cnc3c(c2)N(S(=O)(=O)c2ccccc2)CCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.44
CPT1A P50416 2/20 0.41
RORC P51449 4/20 0.41
HTR6 P50406 4/20 0.39
NR1H3 Q13133 1/20 0.39
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL2000778 0.79 RORC (0.44) CPT1ARORCHTR6NR1H3NPC1
SCHEMBL1993263 0.76 GPR119 (0.43) GPR119CPT1ARORCHTR6NPC1
SCHEMBL2002595 0.76 RORC (0.53) GPR119CPT1ARORCHTR6NR1H3
SCHEMBL2003608 0.76 RORC (0.41) CPT1ARORCHTR6NR1H3NPC1
SCHEMBL2003597 0.75 RORC (0.48) GPR119CPT1ARORCNR1H3ALDH1A1
SCHEMBL2007284 0.74 CPT1A (0.52) CPT1ARORCHTR6NR1H3
SCHEMBL2005943 0.73 RORC (0.54) GPR119CPT1ARORCNR1H3
SCHEMBL2003367 0.72 CPT1A (0.52) CPT1ARORCHTR6NR1H3NPC1
SCHEMBL2001117 0.72 CPT1A (0.56) CPT1ARORCHTR6NR1H3NPC1
SCHEMBL2001849 0.71 RORC (0.52) GPR119CPT1ARORCNR1H3

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 GPR119 255/4885CPT1A 3067/4885RORC 122/4885

“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.