SCHEMBL12437879

SCHEMBL12437879

CN(C)C1(CNC(=O)c2ccc(OC3CCN(CCCCc4ccccc4)CC3)c(Cl)c2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
SLC6A5 Q9Y345 4/20 0.46
SLC5A7 Q9GZV3 1/20 0.45
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
DRD4 P21917 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
UTS2R Q9UKP6 3/20 0.43
KDM4E B2RXH2 1/20 0.42
SLC2A1 P11166 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
SCHEMBL12437913 0.86 UTS2R (0.48) TP53SLC6A5OPRM1OPRD1MEN1
SCHEMBL12437847 0.85 TP53 (0.48) TP53SLC6A5OPRM1OPRD1LMNA
SCHEMBL12437859 0.84 TP53 (0.47) TP53SLC6A5OPRM1OPRD1MEN1
SCHEMBL13158774 0.82 TP53 (0.48) TP53SLC6A5OPRM1OPRD1LMNA
SCHEMBL12437873 0.81 UTS2R (0.47) TP53SLC6A5OPRM1OPRD1MEN1
SCHEMBL12437853 0.80 SLC2A1 (0.44) TP53SLC5A7OPRM1OPRD1DRD4
SCHEMBL12437863 0.80 UTS2R (0.46) TP53SLC6A5OPRM1OPRD1MEN1
SCHEMBL12437898 0.80 UTS2R (0.46) TP53SLC6A5OPRM1OPRD1MEN1
SCHEMBL12437337 0.80 ALDH1A1 (0.58) SLC5A7OPRM1OPRD1MEN1KMT2A
SCHEMBL12437878 0.79 UTS2R (0.47) TP53SLC6A5OPRM1OPRD1MEN1

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
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 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 (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 TP53 7/4885SLC6A5 4085/4885SLC5A7 4329/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD TP53 7/4885SLC6A5 4085/4885SLC5A7 4329/4885

“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.