SCHEMBL2011070

SCHEMBL2011070

COC1CN(C(=O)c2cnc3c(c2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO3)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.45
RORC P51449 7/20 0.44
CYP2C9 P11712 1/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
CCR3 P51677 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL2004707 0.89 RORC (0.46) CPT1ARORCCYP2C9TSHRMEN1
SCHEMBL1997063 0.86 RORC (0.48) CPT1ARORCTSHRMEN1KMT2A
SCHEMBL2006124 0.86 RORC (0.46) CPT1ARORCTSHRMEN1KMT2A
SCHEMBL2005784 0.85 RORC (0.46) CPT1ARORCTSHRMEN1KMT2A
SCHEMBL2002827 0.84 RORC (0.45) CPT1ARORCTSHRMEN1KMT2A
SCHEMBL2005680 0.83 RORC (0.47) CPT1ARORCCYP2C9TSHRMEN1
SCHEMBL2005185 0.82 CPT1A (0.51) CPT1ARORCCYP2C9TSHRMEN1
SCHEMBL2001013 0.82 RORC (0.51) CPT1ARORCCYP2C9TSHRMEN1
SCHEMBL1997790 0.82 POLB (0.43) CPT1ARORCMEN1KMT2ALMNA
SCHEMBL1997689 0.82 RORC (0.47) CPT1ARORCMEN1KMT2ALMNA

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 CPT1A 3067/4885RORC 122/4885CYP2C9 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.