SCHEMBL1129328

SCHEMBL1129328

CC(C)(C)C(=O)N1CCC(n2ncc3c(Oc4cc(F)c(F)cc4F)ncnc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 2/20 0.48
GPR119 Q8TDV5 6/20 0.41
EZH2 Q15910 1/20 0.41
PIK3CD O00329 2/20 0.39
PIK3CA P42336 1/20 0.39
NR3C1 P04150 2/20 0.38
FLT3 P36888 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE9A O76083 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35

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
SCHEMBL4358909 0.89 CYP3A4 (0.50) CYP3A4CYP2C9GPR119PIK3CDNR3C1
SCHEMBL1128224 0.89 CYP3A4 (0.66) CYP3A4CYP2C9GPR119EZH2PIK3CD
SCHEMBL9007710 0.87 CYP3A4 (0.64) CYP3A4CYP2C9GPR119KCNH2
SCHEMBL1128654 0.85 CYP3A4 (0.51) CYP3A4CYP2C9GPR119KCNH2
SCHEMBL1128532 0.79 CYP3A4 (0.61) CYP3A4CYP2C9GPR119EZH2PIK3CD
Hydrochloric Acid SCHEMBL1128930 0.79 CYP3A4 (0.41) CYP3A4CYP2C9FLT3PDE9AABL1
SCHEMBL4354573 0.79 CYP3A4 (0.81) CYP3A4CYP2C9GPR119
SCHEMBL1129003 0.79 CYP3A4 (0.81) CYP3A4CYP2C9GPR119
SCHEMBL1128570 0.79 CYP3A4 (0.62) CYP3A4CYP2C9GPR119PIK3CANR3C1
SCHEMBL4468923 0.78 CYP3A4 (0.47) CYP3A4CYP2C9GPR119PIK3CDFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885CYP2C9 917/4885GPR119 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.