SCHEMBL2000254

SCHEMBL2000254

O=C(NC1CCC(O)CC1)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.47
CPT1A P50416 2/20 0.45
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGDS O60760 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
CNR2 P34972 2/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL2000252 1.00 RORC (0.47) RORCCPT1AKMT2AHPGDSMN1; SMN2
SCHEMBL2001759 0.93 RORC (0.49) RORCCPT1AKMT2AMEN1TSHR
SCHEMBL13670208 0.86 RORC (0.46) RORCCPT1AKMT2ACNR2CNR1
SCHEMBL2001170 0.86 RORC (0.46) RORCCPT1AKMT2ACNR2CNR1
SCHEMBL1999541 0.86 RORC (0.46) RORCCPT1AKMT2AMEN1TSHR
SCHEMBL12570206 0.86 RORC (0.46) RORCCPT1AKMT2AMEN1TSHR
SCHEMBL2002936 0.86 RORC (0.46) RORCCPT1AKMT2AMEN1TSHR
SCHEMBL12570237 0.86 RORC (0.46) RORCCPT1AKMT2AMEN1TSHR
SCHEMBL13669916 0.86 RORC (0.46) RORCCPT1AKMT2AMEN1TSHR
SCHEMBL2006856 0.86 RORC (0.46) RORCCPT1AKMT2AMEN1TSHR

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 3 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-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 122/4885CPT1A 3067/4885KMT2A 3804/4885

“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.