SCHEMBL2003683

SCHEMBL2003683

CC1CCN(S(=O)(=O)N2CCOc3ncc(C(=O)NCC(C)(C)CO)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.42
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 1/20 0.35
LMNA P02545 5/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA5 P31644 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1997796 0.93 CPT1A (0.43) CPT1AMAPTL3MBTL1CNR2LMNA
SCHEMBL2003143 0.93 CPT1A (0.42) CPT1AMAPTL3MBTL1CNR2ALDH1A1
SCHEMBL2003873 0.92 CPT1A (0.41) CPT1AMAPTL3MBTL1CNR2GABRA5
SCHEMBL2000103 0.90 CPT1A (0.43) CPT1AMAPTL3MBTL1CNR2LMNA
SCHEMBL2002375 0.89 CPT1A (0.44) CPT1AMAPTL3MBTL1THRA
SCHEMBL2003147 0.88 CPT1A (0.43) CPT1ACNR2LMNAKMT2AALDH1A1
SCHEMBL2002415 0.86 CPT1A (0.43) CPT1AMAPTL3MBTL1CNR2GABRA5
SCHEMBL2002514 0.86 CPT1A (0.45) CPT1ALMNAKMT2AALDH1A1TSHR
SCHEMBL2001311 0.84 CPT1A (0.43) CPT1ALMNAKMT2AALDH1A1TSHR
SCHEMBL2000925 0.83 SMN1; SMN2 (0.45) CPT1AMAPTL3MBTL1LMNAKMT2A

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.