SCHEMBL2001902

SCHEMBL2001902

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.50
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
CPT1A P50416 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
TP53 P04637 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2001849 0.85 RORC (0.52) RORCCPT1AGPR119NR1H2NR1H3
SCHEMBL1997587 0.84 RORC (0.55) RORCCCNE2CCNE1CDK2GSK3B
SCHEMBL2002595 0.83 RORC (0.53) RORCCPT1AGPR119NR1H2NR1H3
SCHEMBL2005444 0.83 RORC (0.51) RORCNPC1GPR119NR1H2NR1H3
SCHEMBL2003597 0.83 RORC (0.48) RORCKDM4ECPT1AGPR119NR1H2
SCHEMBL2005943 0.83 RORC (0.54) RORCCPT1AGPR119NR1H2NR1H3
SCHEMBL2002998 0.80 RORC (0.49) RORCNPC1GPR119NR1H2NR1H3
SCHEMBL12569920 0.73 RORC (0.57) RORCNPC1CPT1ANR1H2NR1H3
SCHEMBL2004793 0.73 CPT1A (0.48) RORCHSD17B10CPT1ATP53ALDH1A1
SCHEMBL2001074 0.72 CPT1A (0.47) RORCHSD17B10CPT1ATP53NR1H2

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 6 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-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 RORC 122/4885CCNE2 1355/4885CCNE1 849/4885

“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.