SCHEMBL2003143

SCHEMBL2003143

CC(C)(CO)CNC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCC(F)CC1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
CNR2 P34972 4/20 0.35
CNR1 P21554 2/20 0.35
RORC P51449 4/20 0.35
GABRA5 P31644 2/20 0.33
PIK3CD O00329 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NAMPT P43490 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL2003873 0.93 CPT1A (0.41) CPT1AMAPTL3MBTL1CNR2RORC
SCHEMBL2003683 0.93 CPT1A (0.42) CPT1AMAPTL3MBTL1CNR2GABRA5
SCHEMBL1997796 0.93 CPT1A (0.43) CPT1AMAPTL3MBTL1CNR2CNR1
SCHEMBL2000103 0.92 CPT1A (0.43) CPT1AMAPTL3MBTL1CNR2CNR1
SCHEMBL2002375 0.89 CPT1A (0.44) CPT1AMAPTL3MBTL1
SCHEMBL2002415 0.88 CPT1A (0.43) CPT1AMAPTL3MBTL1CNR2CNR1
SCHEMBL2001898 0.88 CPT1A (0.43) CPT1ACNR2CNR1RORCGABRA5
SCHEMBL1998105 0.86 CPT1A (0.45) CPT1ACNR2RORCALDH1A1
SCHEMBL2003324 0.84 CPT1A (0.43) CPT1AMAPTRORCALDH1A1
SCHEMBL2000925 0.83 SMN1; SMN2 (0.45) CPT1AMAPTL3MBTL1ALDH1A1

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 3067/4885MAPT 1750/4885L3MBTL1 4304/4885

“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.