SCHEMBL1996576

SCHEMBL1996576

COCCN(C)C(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 6/20 0.51
RORC P51449 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
CYP2C9 P11712 1/20 0.41
CPT1B Q92523 4/20 0.38
MAPT P10636 2/20 0.38
CPT2 P23786 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL2010709 0.90 CPT1A (0.42) CPT1ARORCSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL2010644 0.82 RORC (0.44) CPT1ARORCSMN1; SMN2L3MBTL1RAB9A
SCHEMBL2001536 0.80 RORC (0.58) CPT1ARORCCYP2C9CPT1BMAPT
SCHEMBL1999742 0.80 CPT1A (0.43) CPT1ARORCCYP2C9MAPT
SCHEMBL2002410 0.78 CPT1A (0.57) CPT1ARORCRAB9ACYP2C9CPT1B
SCHEMBL2000929 0.76 RORC (0.54) CPT1ARORCSMN1; SMN2MAPTKDM4E
SCHEMBL2002322 0.76 MAPT (0.51) CPT1ARORCL3MBTL1MAPTALDH1A1
SCHEMBL2003254 0.76 RORC (0.42) CPT1ARORCSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL2001367 0.75 RORC (0.55) CPT1ARORCRAB9AALDH1A1
SCHEMBL2002159 0.75 RORC (0.53) CPT1ARORCSMN1; SMN2CYP2C9ALDH1A1

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 122/4885SMN1; SMN2 4017/4885

“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.