SCHEMBL1721862

SCHEMBL1721862

CC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.46
KLK7 P49862 6/20 0.39
KLK5 Q9Y337 5/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
STS P08842 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
SCHEMBL1724586 0.82 CETP (0.51) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL7859886 0.76 NR1H2 (0.46) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL13609119 0.75 CETP (0.58) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL3942600 0.75 CETP (0.58) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL9885652 0.74 CETP (0.52) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL759185 0.74 CETP (0.52) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL10299788 0.74 KLK7 (0.44) CETPKLK7KLK5GAATHRB
SCHEMBL1721864 0.74 CETP (0.45) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL3950021 0.72 CETP (0.57) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL1724982 0.71 KLK7 (0.52) CETPKLK7KLK5NR1H2NR1H3

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
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2404901-A1 1,2-Disubstituted 4-benzylamino-pyrrolidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-01-11 EP disclosed
EP-2229356-B1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2011-10-12 EP disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 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-20100311750-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CETP 1/4885KLK7 2070/4885KLK5 2583/4885

“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.