SCHEMBL2006124

SCHEMBL2006124

CN1CCN(C(=O)c2cnc3c(c2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO3)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.46
CPT1A P50416 2/20 0.44
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
MET P08581 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 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
SCHEMBL1997063 0.92 RORC (0.48) RORCCPT1AALDH1A1TSHRMEN1
SCHEMBL2002827 0.91 RORC (0.45) RORCCPT1AALDH1A1MAPK1TSHR
SCHEMBL1997790 0.89 POLB (0.43) RORCCPT1AALDH1A1MEN1KMT2A
SCHEMBL1997689 0.88 RORC (0.47) RORCCPT1AMEN1KMT2A
SCHEMBL2005784 0.88 RORC (0.46) RORCCPT1AALDH1A1TSHRMEN1
SCHEMBL2004707 0.87 RORC (0.46) RORCCPT1AALDH1A1TSHRMEN1
SCHEMBL2005680 0.86 RORC (0.47) RORCCPT1AALDH1A1TSHRMEN1
SCHEMBL2011070 0.86 CPT1A (0.45) RORCCPT1ATSHRMEN1KMT2A
SCHEMBL12570214 0.85 PKM (0.56) ALDH1A1GAAKDM4EMAPK1MEN1
SCHEMBL2003614 0.85 PKM (0.46) RORCCPT1AALDH1A1GAAMAPK1

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
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 3067/4885ALDH1A1 2053/4885

“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.