SCHEMBL2005449

SCHEMBL2005449

O=C(c1cnc2c(c1)N(S(=O)(=O)c1ccccc1)CCO2)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
CPT1A P50416 2/20 0.47
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RORC P51449 2/20 0.45
GRM5 P41594 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
NR1H3 Q13133 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1999769 0.92 CPT1A (0.47) CPT1ARORCGRM5NR1H3HPGD
SCHEMBL2004171 0.88 EPHX2 (0.47) MAPK1L3MBTL1RORCHTTNR1H3
SCHEMBL2007284 0.87 CPT1A (0.52) CPT1ARORCNR1H3AKR1C3
SCHEMBL2003367 0.85 CPT1A (0.52) CPT1ARORCNR1H3AKR1C3
SCHEMBL1997689 0.84 RORC (0.47) CPT1AL3MBTL1RORCTP53SMN1; SMN2
SCHEMBL2001117 0.82 CPT1A (0.56) CPT1ARORCNR1H3
SCHEMBL2001989 0.80 HPGD (0.48) TSHRCPT1AL3MBTL1RORCNR1H3
SCHEMBL2001102 0.80 CPT1A (0.56) CPT1ARORCNR1H3
SCHEMBL1997063 0.79 RORC (0.48) TSHRCPT1AL3MBTL1RORCHPGD
SCHEMBL2001969 0.79 CPT1A (0.47) CPT1ARORCNR1H3SMN1; SMN2AKR1C3

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 TSHR 1174/4885RECQL 1537/4885CPT1A 3067/4885

“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.