SCHEMBL2004409

SCHEMBL2004409

CCC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCc3ccccc3C1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.44
NAMPT P43490 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
NOD2 Q9HC29 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36

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 0.93 CPT1A (0.44) CPT1ALMNASMN1; SMN2RAB9AKMT2A
SCHEMBL2002787 0.91 CPT1A (0.46) CPT1ALMNASMN1; SMN2RAB9AKMT2A
SCHEMBL1999401 0.86 CPT1A (0.44) CPT1ANAMPTLMNAKMT2AHTT
SCHEMBL2005427 0.86 CPT1A (0.49) CPT1ANAMPTLMNASMN1; SMN2RAB9A
SCHEMBL2000925 0.85 SMN1; SMN2 (0.45) CPT1ALMNASMN1; SMN2RAB9AKMT2A
SCHEMBL2007304 0.85 CPT1A (0.44) CPT1ANAMPTLMNAHTT
SCHEMBL2004875 0.83 CPT1A (0.44) CPT1ALMNAKMT2AHTTMAPT
SCHEMBL2001311 0.83 CPT1A (0.43) CPT1ALMNAKMT2AHTTKDM4E
SCHEMBL2003324 0.83 CPT1A (0.43) CPT1ALMNAKMT2AHTTMAPT
SCHEMBL1999612 0.83 CPT1A (0.44) CPT1ANAMPTLMNAKMT2AHTT

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 3067/4885NAMPT 1519/4885LMNA 3572/4885

“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.