SCHEMBL12437847

SCHEMBL12437847

CN(C)C1(CNC(=O)c2ccc(OC3CCN(CC(c4ccccc4)c4ccccc4)CC3)c(Cl)c2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
OPRM1 P35372 3/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 2/20 0.45
LMNA P02545 1/20 0.45
SLC6A5 Q9Y345 4/20 0.45
KDM4E B2RXH2 1/20 0.44
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
KCNH2 Q12809 1/20 0.42
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
SCHEMBL12437859 0.99 TP53 (0.47) TP53OPRM1OPRD1OPRK1LMNA
SCHEMBL12437853 0.94 SLC2A1 (0.44) TP53OPRM1OPRD1OPRK1HRH1
SCHEMBL12437906 0.89 OPRK1 (0.41) TP53OPRK1HRH1CCR3KCNH2
SCHEMBL12437881 0.87 TP53 (0.44) TP53OPRM1OPRD1OPRK1LMNA
SCHEMBL12437570 0.87 SLC6A5 (0.52) TP53OPRM1OPRD1LMNASLC6A5
SCHEMBL12437913 0.86 UTS2R (0.48) TP53OPRM1OPRD1LMNASLC6A5
SCHEMBL12513899 0.86 TP53 (0.57) TP53OPRK1LMNAKDM4EHRH1
SCHEMBL12437879 0.85 TP53 (0.47) TP53OPRM1OPRD1LMNASLC6A5
SCHEMBL12437944 0.84 KMT2A (0.47) OPRK1HRH1CCR3KCNH2UTS2R
SCHEMBL13158774 0.84 TP53 (0.48) TP53OPRM1OPRD1LMNASLC6A5

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 7/4885OPRM1 2073/4885OPRD1 779/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD TP53 7/4885OPRM1 2073/4885OPRD1 779/4885

“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.