SCHEMBL1995266

SCHEMBL1995266

CCOC(=O)C1(NC(=O)c2cnc3c(c2)N([S+]([O-])c2ccc(C(F)(F)F)cc2)CCO3)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
SSTR5 P35346 1/20 0.32
BDKRB1 P46663 1/20 0.32
RAF1 P04049 2/20 0.31
BRAF P15056 2/20 0.31
GABRA1 P14867 1/20 0.31
MAPT P10636 1/20 0.31
CPT1A P50416 1/20 0.31

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
SCHEMBL1998022 0.84 CPT1A (0.42) GAAMAPTCPT1A
SCHEMBL1999403 0.83 SCN9A (0.36) SMN1; SMN2POLBGAAHIF1AEPAS1
SCHEMBL2005665 0.81 HTT (0.37) SMN1; SMN2GAAHIF1AEPAS1MAPT
SCHEMBL2008902 0.81 CPT1A (0.35) SMN1; SMN2POLBKDM4EGAAHIF1A
SCHEMBL1999737 0.81 CPT1A (0.41) GAAMAPTCPT1A
SCHEMBL1999329 0.81 RORC (0.36) HIF1AEPAS1CPT1A
SCHEMBL2002698 0.80 HIF1A (0.34) SMN1; SMN2POLBGAAHIF1AEPAS1
SCHEMBL2001814 0.80 CNR1 (0.40) DGAT2SMN1; SMN2POLBGAAHIF1A
SCHEMBL2008087 0.77 HDAC4 (0.45) DGAT2GAAHIF1AEPAS1CPT1A
SCHEMBL1998217 0.77 TP53 (0.35) HPGDTRPV1HIF1AEPAS1

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 DGAT2 3570/4885MAOB 1436/4885HPGD 682/4885

“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.