SCHEMBL2216622

SCHEMBL2216622

COC(=O)c1ccc(OC2CCN(C(=O)O)CC2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
RORC P51449 1/20 0.47
SCD O00767 1/20 0.45
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
UTS2R Q9UKP6 1/20 0.42

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
SCHEMBL16544907 0.87 RORC (0.59) EPHX2RORCMEN1NPC1MAPT
SCHEMBL12437084 0.85 PDE4D (0.58) EPHX2MAPTKMT2A
SCHEMBL8505957 0.84 PDE4D (0.55) RORC
SCHEMBL8503889 0.83 PDE4D (0.54) RORC
SCHEMBL9903720 0.82 HRH1 (0.53) EPHX2RORCHRH1CCR3MEN1
SCHEMBL3109672 0.81 RORC (0.50) EPHX2RORCMEN1NPC1MAPT
SCHEMBL2215999 0.81 UTS2R (0.50) RORCMEN1NPC1MAPTRAB9A
SCHEMBL3283342 0.81 MAPT (0.45) EPHX2HRH1CCR3MEN1MAPT
SCHEMBL23365170 0.80 HRH1 (0.48) EPHX2RORCSCDHRH1CCR3
SCHEMBL18152362 0.80 HRH3 (0.48) EPHX2ALDH1A1UTS2R

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
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
EP-1991233-A4 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2009-07-01 EP disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
EP-1991233-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF Avalon Pharmaceuticals (US) 2008-11-19 EP disclosed
WO-2007098086-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2007-08-30 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 (2 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-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD EPHX2 1406/4885RORC 1725/4885SCD 4250/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD EPHX2 1406/4885RORC 1725/4885SCD 4250/4885

“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.