SCHEMBL2000925

SCHEMBL2000925

CC(C)(CO)CNC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCc3ccccc3C1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
CPT1A P50416 2/20 0.43
AKR1C3 P42330 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
VDR P11473 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2000866 0.89 CPT1A (0.44) SMN1; SMN2RAB9AKMT2ALMNACPT1A
SCHEMBL2002787 0.87 CPT1A (0.46) SMN1; SMN2RAB9AKMT2ALMNACPT1A
SCHEMBL2000103 0.86 CPT1A (0.43) SMN1; SMN2RAB9AKMT2ALMNACPT1A
SCHEMBL2004409 0.85 CPT1A (0.44) SMN1; SMN2RAB9AKMT2ALMNACPT1A
SCHEMBL2000157 0.85 AKR1C3 (0.38) SMN1; SMN2RAB9AKMT2ALMNACPT1A
SCHEMBL2003683 0.83 CPT1A (0.42) SMN1; SMN2RAB9AKMT2ALMNACPT1A
SCHEMBL2003143 0.83 CPT1A (0.42) CPT1AALDH1A1MAPTL3MBTL1
SCHEMBL2002415 0.83 CPT1A (0.43) CPT1AMAPTL3MBTL1
SCHEMBL1997796 0.83 CPT1A (0.43) LMNACPT1AMAPTL3MBTL1
SCHEMBL2002375 0.83 CPT1A (0.44) CPT1AMAPTVDRL3MBTL1

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 SMN1; SMN2 4017/4885RAB9A 2694/4885KMT2A 3804/4885

“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.