SCHEMBL1128554

SCHEMBL1128554

Cc1nnnn1-c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
GPR119 Q8TDV5 10/20 0.40
FLT3 P36888 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NR3C1 P04150 1/20 0.36
BRAF P15056 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL1128553 0.90 CYP3A4 (0.52) CYP3A4GPR119FLT3CYP2C9ALDH1A1
SCHEMBL4354254 0.89 CYP3A4 (0.69) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL4357368 0.88 CYP3A4 (0.54) CYP3A4GPR119CYP2C9
SCHEMBL2021635 0.81 CYP3A4 (0.69) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL4355586 0.80 CYP3A4 (0.46) CYP3A4FLT3CYP2C9ALDH1A1NPC1
SCHEMBL2016352 0.80 CYP3A4 (0.69) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL1129044 0.76 CYP3A4 (0.70) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL4326982 0.75 CYP3A4 (0.77) CYP3A4GPR119FLT3CYP2C9NR3C1
SCHEMBL1128290 0.75 CYP3A4 (0.79) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL1128356 0.75 CYP3A4 (0.73) CYP3A4GPR119CYP2C9NR3C1

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 3 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 disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP 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 1503/4885GPR119 1/4885FLT3 2186/4885

“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.