SCHEMBL5005350

SCHEMBL5005350

CC1(C)OC(=O)N(CCC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.57
CTSG P08311 1/20 0.57
PRTN3 P24158 1/20 0.57
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
NOTUM Q6P988 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KAT2B Q92831 1/20 0.38
CDC25B P30305 1/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25849153 0.76 GSK3A (0.53) ALDH1A1MAPK1L3MBTL1LMNANOTUM
SCHEMBL1177836 0.71 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1LMNANOTUM
SCHEMBL25849155 0.70 PKM (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMAPT
SCHEMBL1413317 0.69 CTSG (0.52) ELANECTSGPRTN3ALDH1A1LMNA
SCHEMBL27925903 0.69 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1LMNANPSR1
SCHEMBL1870004 0.68 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1LMNANOTUM
SCHEMBL19960 0.68 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1LMNANOTUM
SCHEMBL3963428 0.68 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1LMNANOTUM
SCHEMBL18673 0.68 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1LMNANOTUM
SCHEMBL13407447 0.68 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR ELANE 4068/4885CTSG 3102/4885PRTN3 1621/4885

“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.