SCHEMBL4077289

SCHEMBL4077289

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.34
CYP2D6 P10635 1/20 0.33
ABHD10 Q9NUJ1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
P2RX4 Q99571 1/20 0.30
BCHE P06276 1/20 0.30
GPR119 Q8TDV5 2/20 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
SCHEMBL3941206 1.00 CETP (0.34) CETPCYP2D6ABHD10ALDH1A1SMN1; SMN2
SCHEMBL13609106 0.89 ELANE (0.32) CETP
SCHEMBL3944751 0.80 CETP (0.36) CETPGPR119
SCHEMBL12411420 0.80 CETP (0.36) CETPGPR119
SCHEMBL3951680 0.79 CETP (0.32) CETP
SCHEMBL14311394 0.78 THRB (0.34) CETPCYP2D6ABHD10ALDH1A1THRB
SCHEMBL759059 0.78 CETP (0.44) CETPSMN1; SMN2THRB
SCHEMBL14319923 0.78 CETP (0.44) CETPSMN1; SMN2THRB
SCHEMBL4071602 0.78 CETP (0.44) CETPSMN1; SMN2THRB
SCHEMBL4038626 0.78 CETP (0.44) CETPSMN1; SMN2THRB

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 5 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
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 1/4885CYP2D6 482/4885ABHD10 353/4885

“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.