SCHEMBL2005444

SCHEMBL2005444

O=C(NC1CCCC1)c1noc(-c2cnc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCO3)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.51
ACKR3 P25106 2/20 0.47
KCNH2 Q12809 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR119 Q8TDV5 1/20 0.39
EPHX2 P34913 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 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
SCHEMBL2002595 0.86 RORC (0.53) RORCGPR119KMT2ANR1H2NR1H3
SCHEMBL2001849 0.86 RORC (0.52) RORCGPR119NR1H2NR1H3
SCHEMBL2005943 0.85 RORC (0.54) RORCGPR119NR1H2NR1H3
SCHEMBL2001902 0.83 RORC (0.50) RORCKCNH2TSHRNPC1GPR119
SCHEMBL2006093 0.83 CNR1 (0.59) RORCCNR1CNR2RAB9ANPC1
SCHEMBL2002998 0.82 RORC (0.49) RORCRAB9ANPC1GPR119NR1H2
SCHEMBL2003597 0.81 RORC (0.48) RORCGPR119NR1H2NR1H3POLB
SCHEMBL2001367 0.77 RORC (0.55) RORCCNR1CNR2RAB9ANPC1
SCHEMBL2007149 0.76 KMT2A (0.52) RORCCNR1CNR2KMT2AGAA
SCHEMBL2003923 0.75 CNR1 (0.49) RORCCNR1CNR2TSHREPHX2

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 9 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
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 RORC 122/4885ACKR3 99/4885KCNH2 1073/4885

“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.