SCHEMBL2016179

SCHEMBL2016179

CC(C)(C)OC(=O)N1CCC(Cn2ncc3c(Oc4ccc(-n5ccnc5)cc4)ncnc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
PIK3CD O00329 2/20 0.51
GPR119 Q8TDV5 12/20 0.50
USP7 Q93009 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2018346 0.88 CYP3A4 (0.55) CYP3A4PIK3CDGPR119USP7
SCHEMBL2022131 0.87 CYP3A4 (0.70) CYP3A4PIK3CDGPR119CYP2C9
SCHEMBL2024891 0.86 CYP3A4 (0.60) CYP3A4PIK3CDGPR119USP7
SCHEMBL2017006 0.86 CYP3A4 (0.59) CYP3A4PIK3CDGPR119USP7
SCHEMBL2019132 0.85 CYP3A4 (0.58) CYP3A4PIK3CDGPR119
SCHEMBL2016794 0.84 CYP3A4 (0.52) CYP3A4PIK3CDGPR119USP7
SCHEMBL2020920 0.83 CYP3A4 (0.75) CYP3A4GPR119
SCHEMBL2020414 0.83 CYP3A4 (0.56) CYP3A4PIK3CDGPR119USP7
SCHEMBL2019907 0.82 CYP3A4 (0.55) CYP3A4PIK3CDGPR119USP7
SCHEMBL2018302 0.79 CYP3A4 (0.70) CYP3A4GPR119

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 789/4885PIK3CD 2369/4885GPR119 1/4885

“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.