SCHEMBL2006093

SCHEMBL2006093

O=C(NC1CCCC1)c1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCO2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
RORC P51449 5/20 0.56
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.45
NPC1 O15118 1/20 0.44
CPT1A P50416 2/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
SCHEMBL2003923 0.91 CNR1 (0.49) CNR1CNR2RORCPOLBGAA
SCHEMBL2001367 0.91 RORC (0.55) CNR1CNR2RORCRAB9AGAA
SCHEMBL2007149 0.90 KMT2A (0.52) CNR1CNR2RORCGAAKMT2A
SCHEMBL2002709 0.86 GAA (0.46) CNR1CNR2RORCRAB9AGAA
SCHEMBL2001514 0.85 CPT1A (0.50) CNR1CNR2RORCGAAALDH1A1
SCHEMBL2001759 0.85 RORC (0.49) CNR1CNR2RORCGAAKMT2A
SCHEMBL2001650 0.84 CNR1 (0.67) CNR1CNR2RORCRAB9APOLB
SCHEMBL2005444 0.83 RORC (0.51) CNR1CNR2RORCRAB9APOLB
SCHEMBL2001670 0.83 RORC (0.58) RORCKMT2AMEN1CPT1ANR1H2
SCHEMBL1999081 0.83 RORC (0.57) CNR1CNR2RORCCPT1ANR1H2

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 CNR1 1/4885CNR2 2/4885RORC 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.