SCHEMBL3942600

SCHEMBL3942600

CCC1CC(N)CC(Cc2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.58
KLK7 P49862 6/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
KLK5 Q9Y337 5/20 0.41
TACR1 P25103 1/20 0.40
ABCB1 P08183 1/20 0.40
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL13609119 1.00 CETP (0.58) CETPKLK7NR1H2NR1H3KLK5
SCHEMBL9885652 0.85 CETP (0.52) CETPKLK7NR1H2NR1H3KLK5
SCHEMBL759185 0.85 CETP (0.52) CETPKLK7NR1H2NR1H3KLK5
SCHEMBL758017 0.84 CHRM2 (0.46) CETPNR1H2ABCB1
SCHEMBL764555 0.84 CHRM2 (0.46) CETPNR1H2ABCB1
SCHEMBL9885645 0.84 CHRM2 (0.46) CETPNR1H2ABCB1
SCHEMBL3950021 0.84 CETP (0.57) CETPKLK7NR1H2NR1H3KLK5
SCHEMBL14311412 0.83 CETP (0.45) CETP
SCHEMBL1724586 0.81 CETP (0.51) CETPKLK7NR1H2NR1H3KLK5
SCHEMBL9885647 0.79 CETP (0.51) CETPTACR1ABCB1JAK2JAK1

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-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
EP-2049517-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CETP 1/4885KLK7 2016/4885NR1H2 7/4885

“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.