SCHEMBL2020220

SCHEMBL2020220

CC(C)(C)OC(=O)N1CCCC(n2ncc3c(Oc4ccc(-n5cncn5)cc4)ncnc32)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
GPR119 Q8TDV5 8/20 0.54
BTK Q06187 3/20 0.42
EGFR P00533 1/20 0.42
CYP2C9 P11712 1/20 0.41
PIK3CD O00329 3/20 0.40
SRC P12931 1/20 0.40
NR3C1 P04150 1/20 0.40
USP7 Q93009 1/20 0.39

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
SCHEMBL1128431 0.90 CYP3A4 (0.73) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL1128502 0.86 CYP3A4 (0.82) CYP3A4GPR119CYP2C9
SCHEMBL1128569 0.86 CYP3A4 (0.82) CYP3A4GPR119CYP2C9
SCHEMBL1128557 0.86 CYP3A4 (0.82) CYP3A4GPR119CYP2C9
SCHEMBL2016794 0.82 CYP3A4 (0.52) CYP3A4GPR119PIK3CDUSP7
SCHEMBL2015475 0.80 CYP3A4 (0.76) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL2018346 0.80 CYP3A4 (0.55) CYP3A4GPR119PIK3CDUSP7
SCHEMBL1129044 0.80 CYP3A4 (0.70) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL2016396 0.79 CYP3A4 (0.57) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL2022131 0.79 CYP3A4 (0.70) CYP3A4GPR119CYP2C9PIK3CDNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 US claimed
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 US disclosed
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 US disclosed
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 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-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, GCKR, GID4 CYP3A4 789/4885GPR119 1/4885BTK 3539/4885

“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.