SCHEMBL2008950

SCHEMBL2008950

O=C(NCC1CCOCC1)c1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.53
AOC2 O75106 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CPT1A P50416 2/20 0.42
NAMPT P43490 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CNR2 P34972 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4B Q07343 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2000929 0.87 RORC (0.54) RORCLMNASMN1; SMN2HTTKDM4E
SCHEMBL1996960 0.86 SMN1; SMN2 (0.52) RORCLMNASMN1; SMN2HTTALDH1A1
SCHEMBL2002521 0.83 RORC (0.55) RORCCPT1ANR1H2NR1H3CNR2
SCHEMBL2001755 0.83 RORC (0.55) RORCCPT1ANR1H2NR1H3CNR2
SCHEMBL2006093 0.82 CNR1 (0.59) RORCCPT1ANR1H2NR1H3CNR2
SCHEMBL1997587 0.81 RORC (0.55) RORCHTTKDM4ECPT1ANR1H2
SCHEMBL2001670 0.80 RORC (0.58) RORCCPT1ANR1H2NR1H3MEN1
SCHEMBL1999081 0.80 RORC (0.57) RORCCPT1ANR1H2NR1H3CNR2
SCHEMBL2005182 0.79 RORC (0.60) RORCCPT1ANR1H2NR1H3CNR2
SCHEMBL12569920 0.79 RORC (0.57) RORCHTTCPT1ANR1H2NR1H3

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 RORC 122/4885AOC2 3269/4885LMNA 3572/4885

“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.