SCHEMBL6890836

SCHEMBL6890836

CC(C)(C)OC(=O)[C@H]1CC[C@H](c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(Cl)nc4)c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.39
GPR119 Q8TDV5 2/20 0.34
PIK3CA P42336 1/20 0.30

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
SCHEMBL10277722 1.00 DGAT1 (0.39) DGAT1GPR119PIK3CA
SCHEMBL2680193 0.93 DGAT1 (0.40) DGAT1GPR119PIK3CA
SCHEMBL10239389 0.93 DGAT1 (0.40) DGAT1GPR119PIK3CA
SCHEMBL10277523 0.90 DGAT1 (0.37) DGAT1GPR119PIK3CA
SCHEMBL10211780 0.90 DGAT1 (0.40) DGAT1GPR119
SCHEMBL10277797 0.90 DGAT1 (0.40) DGAT1GPR119
SCHEMBL2680126 0.89 GPR119 (0.39) GPR119
SCHEMBL10277919 0.89 DGAT1 (0.41) DGAT1GPR119
SCHEMBL10277588 0.88 DGAT1 (0.37) DGAT1
SCHEMBL2147571 0.88 RET (0.34) DGAT1GPR119PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3898/4885GPR119 1795/4885PIK3CA 33/4885

“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.