SCHEMBL2018829

SCHEMBL2018829

CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C(=O)c5ccccc5)cc4)ncnc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.75
CYP2C9 P11712 1/20 0.50
NR3C1 P04150 2/20 0.49
PIK3CA P42336 4/20 0.46
MTOR P42345 4/20 0.46
PIK3CG P48736 3/20 0.46
GPR119 Q8TDV5 3/20 0.46
ATR Q13535 2/20 0.46
AURKB Q96GD4 1/20 0.46
PDE10A Q9Y233 1/20 0.45
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
TNK2 Q07912 1/20 0.43
BTK Q06187 1/20 0.43
RET P07949 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL2016500 0.93 CYP3A4 (0.79) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL1128336 0.93 CYP3A4 (0.79) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL2021890 0.91 CYP3A4 (0.77) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL1128233 0.91 CYP3A4 (0.78) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL1128549 0.90 CYP3A4 (0.77) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL2021661 0.90 CYP3A4 (0.69) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL1128343 0.89 CYP3A4 (0.81) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL1128290 0.88 CYP3A4 (0.79) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL2020756 0.88 CYP3A4 (0.79) CYP3A4CYP2C9NR3C1PIK3CAMTOR
SCHEMBL1128622 0.87 CYP3A4 (0.78) CYP3A4CYP2C9NR3C1PIK3CAMTOR

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 789/4885CYP2C9 787/4885NR3C1 719/4885

“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.