SCHEMBL2017035

SCHEMBL2017035

CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(-n5cnnn5)cc4)ncnc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
GPR119 Q8TDV5 14/20 0.54
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
PIK3CG P48736 2/20 0.41
ATR Q13535 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL2016396 0.90 CYP3A4 (0.57) CYP3A4GPR119PIK3CAMTORCYP2C9
SCHEMBL1129044 0.89 CYP3A4 (0.70) CYP3A4GPR119PIK3CAMTORCYP2C9
SCHEMBL4352311 0.88 CYP3A4 (0.53) CYP3A4GPR119ALDH1A1HPGD
SCHEMBL4357368 0.85 CYP3A4 (0.54) CYP3A4GPR119PIK3CAMTORCYP2C9
SCHEMBL2019853 0.85 CYP3A4 (0.61) CYP3A4GPR119PIK3CAMTORCYP2C9
SCHEMBL1128724 0.85 CYP3A4 (0.61) CYP3A4GPR119PIK3CAMTORCYP2C9
SCHEMBL12574275 0.84 GPR119 (0.58) CYP3A4GPR119ALDH1A1HPGD
SCHEMBL10139985 0.83 GPR119 (0.55) GPR119CYP2C9ALDH1A1HPGD
SCHEMBL1128465 0.83 CYP3A4 (0.59) CYP3A4GPR119PIK3CAMTORCYP2C9
SCHEMBL1128407 0.83 CYP3A4 (0.79) CYP3A4GPR119CYP2C9KCNH2

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-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

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 1/4885PIK3CA 2593/4885

“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.