SCHEMBL2011173

SCHEMBL2011173

O=C(O)[C@H]1CCCCN1C(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DGAT1 O75907 2/20 0.44
CA2 P00918 1/20 0.41
RORC P51449 4/20 0.41
MCL1 Q07820 1/20 0.40
NR1H3 Q13133 2/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.39
NR1H2 P55055 1/20 0.38
WNT3 P56703 2/20 0.38
SFRP1 Q8N474 2/20 0.38
CYP11B1 P15538 1/20 0.38
CPT1A P50416 1/20 0.38
HTT P42858 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
SCHEMBL13669971 1.00 TDP1 (0.48) TDP1L3MBTL1DGAT1CA2RORC
SCHEMBL2008212 0.90 KMT2A (0.42) TDP1RORCCPT1A
SCHEMBL2008210 0.90 KMT2A (0.42) TDP1RORCCPT1A
SCHEMBL13670322 0.89 RORC (0.41) RORCNR1H3BRD4NR1H2CYP11B1
SCHEMBL2002379 0.89 LMNA (0.47) CA2RORCNR1H3NR1H2CYP11B1
SCHEMBL2002378 0.89 LMNA (0.47) CA2RORCNR1H3NR1H2CYP11B1
SCHEMBL2002214 0.88 RHOC (0.41) RORCNR1H3ALDH1A1BRD4NR1H2
SCHEMBL4054289 0.88 BRD4 (0.45) RORCNR1H3ALDH1A1BRD4NR1H2
SCHEMBL2004141 0.86 OPRD1 (0.47) RORCALDH1A1BRD4
SCHEMBL12570153 0.85 RAB9A (0.40) RORCALDH1A1BRD4CPT1A

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 TDP1 3008/4885L3MBTL1 4304/4885DGAT1 3632/4885

“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.