SCHEMBL2006557

SCHEMBL2006557

CC1CC(C)CN(C(=O)c2cnc3c(c2)N([S+]([O-])c2ccc(C(F)(F)F)cc2)CCO3)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CA P42336 1/20 0.36
KCNH2 Q12809 2/20 0.34
PDE2A O00408 1/20 0.34
PROKR1 Q8TCW9 2/20 0.34
KMT2A Q03164 2/20 0.34
STAT3 P40763 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MAPK7 Q13164 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
BLM P54132 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
SCHEMBL2004287 0.91 NPC1 (0.40) LMNASMN1; SMN2PIK3CAKCNH2KMT2A
SCHEMBL2000002 0.87 HPGD (0.47) LMNAPOLBPIK3CAKCNH2KMT2A
SCHEMBL2007330 0.87 EPHX2 (0.47) LMNAPOLBSMN1; SMN2PIK3CAKCNH2
SCHEMBL2002032 0.84 HSD11B1 (0.35) POLBSMN1; SMN2PIK3CAPROKR1KMT2A
SCHEMBL2008016 0.82 KMT2A (0.45) GAALMNAPOLBSMN1; SMN2KMT2A
SCHEMBL2008902 0.80 CPT1A (0.35) GAAPOLBSMN1; SMN2PIK3CASTAT3
SCHEMBL2007329 0.78 KMT2A (0.41) KMT2AALDH1A1
SCHEMBL2001763 0.78 CNR2 (0.34) GAALMNAPOLBPIK3CAKCNH2
SCHEMBL2001814 0.78 CNR1 (0.40) GAAPOLBSMN1; SMN2PIK3CASTAT3
SCHEMBL2005665 0.78 HTT (0.37) GAALMNASMN1; SMN2PIK3CASTAT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GAA 4265/4885LMNA 3572/4885POLB 3140/4885

“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.