SCHEMBL1997587

SCHEMBL1997587

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.55
CPT1A P50416 2/20 0.47
CYP2C9 P11712 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HPGD P15428 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
SCHEMBL2004793 0.87 CPT1A (0.48) RORCCPT1APOLBALDH1A1MAPT
SCHEMBL2001074 0.86 CPT1A (0.47) RORCCPT1ACYP2C9NR1H2NR1H3
SCHEMBL2001755 0.85 RORC (0.55) RORCCPT1ACYP2C9ALDH1A1NR1H2
SCHEMBL2002521 0.85 RORC (0.55) RORCCPT1ACYP2C9ALDH1A1NR1H2
SCHEMBL12569920 0.84 RORC (0.57) RORCCPT1ACYP2C9NPC1ALDH1A1
SCHEMBL2001902 0.84 RORC (0.50) RORCCPT1APOLBNPC1ALDH1A1
SCHEMBL1999081 0.82 RORC (0.57) RORCCPT1ACYP2C9NR1H2NR1H3
SCHEMBL2008950 0.81 RORC (0.53) RORCCPT1APOLBALDH1A1NR1H2
SCHEMBL2006093 0.80 CNR1 (0.59) RORCCPT1APOLBNPC1ALDH1A1
SCHEMBL2001670 0.80 RORC (0.58) RORCCPT1ACYP2C9NR1H2NR1H3

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 122/4885CPT1A 3067/4885CYP2C9 346/4885

“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.