SCHEMBL9885652

SCHEMBL9885652

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.52
KLK7 P49862 6/20 0.47
KLK5 Q9Y337 5/20 0.44
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
ABCB1 P08183 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G5 P39877 1/20 0.40
STS P08842 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
SCHEMBL759185 1.00 CETP (0.52) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL14311138 0.90 CETP (0.46) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL13609033 0.90 CETP (0.46) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL3950707 0.88 CETP (0.44) CETPKLK7
SCHEMBL3942600 0.85 CETP (0.58) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL13609119 0.85 CETP (0.58) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL4071602 0.85 CETP (0.44) CETPNR1H2ABCB1
SCHEMBL14319923 0.85 CETP (0.44) CETPNR1H2ABCB1
SCHEMBL759059 0.85 CETP (0.44) CETPNR1H2ABCB1
SCHEMBL759308 0.85 CETP (0.44) CETPNR1H2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440682-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440682-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8420641-B2 Method of inhibiting CETP activity with 4-benzylamino-1-carboxylacyl-piperidine derivatives NOVARTIS AG (CH) 2013-04-16 US disclosed
US-8420641-B2 Method of inhibiting CETP activity with 4-benzylamino-1-carboxylacyl-piperidine derivatives NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20120264773-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264773-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120208816-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208816-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8193349-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193349-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20090118287-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-05-07 US disclosed
US-20090118287-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-05-07 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 (3 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-20120264773-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CETP 1/4885KLK7 2016/4885KLK5 2035/4885
US-20090118287-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CETP 1/4885KLK7 2016/4885KLK5 2035/4885
US-20120208816-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CETP 1/4885KLK7 2016/4885KLK5 2035/4885

“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.