SCHEMBL4039249

SCHEMBL4039249

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nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.32
CYP2D6 P10635 1/20 0.32
BCHE P06276 1/20 0.32
ABHD10 Q9NUJ1 1/20 0.31
TSHR P16473 2/20 0.31
GPR119 Q8TDV5 4/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
IL6ST P40189 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
SCHEMBL4039245 1.00 P2RX4 (0.32) P2RX4CYP2D6BCHEABHD10TSHR
SCHEMBL4077659 0.81 CHRM2 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL4077655 0.81 CHRM2 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL13609108 0.81 CHRM2 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL4074592 0.80 ALDH1A1 (0.34) P2RX4CYP2D6BCHETSHRGPR119
SCHEMBL4074595 0.80 ALDH1A1 (0.34) P2RX4CYP2D6BCHETSHRGPR119
SCHEMBL4074294 0.80 ALDH1A1 (0.34) P2RX4CYP2D6BCHETSHRGPR119
SCHEMBL13738462 0.79 MAPK1 (0.41) GPR119SMN1; SMN2
SCHEMBL4028667 0.79 PIK3CD (0.32) TSHRGPR119
SCHEMBL3941206 0.76 CETP (0.34) P2RX4CYP2D6BCHEABHD10GPR119

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 4 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
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

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 P2RX4 3161/4885CYP2D6 482/4885BCHE 968/4885

“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.