SCHEMBL12437883

SCHEMBL12437883

CN(C)C(C)(C)CNC(=O)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
UTS2R Q9UKP6 3/20 0.42
HRH1 P35367 3/20 0.42
CCR3 P51677 3/20 0.42
KCNH2 Q12809 1/20 0.42
EPHX2 P34913 1/20 0.41
SLC2A1 P11166 1/20 0.40
DRD4 P21917 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL12437960 0.90 OPRK1 (0.44) OPRK1MEN1KMT2AUTS2RHRH1
SCHEMBL12437854 0.87 NPC1 (0.50) OPRK1MEN1KMT2AUTS2RHRH1
SCHEMBL12437944 0.86 KMT2A (0.47) OPRK1MEN1KMT2AUTS2RHRH1
SCHEMBL12437926 0.86 OPRK1 (0.45) OPRK1MEN1KMT2AUTS2RHRH1
SCHEMBL12437734 0.85 HRH1 (0.46) OPRK1MEN1KMT2AUTS2RHRH1
SCHEMBL12437952 0.85 MEN1 (0.46) OPRK1MEN1KMT2AUTS2REPHX2
SCHEMBL12437853 0.84 SLC2A1 (0.44) OPRK1MEN1KMT2AUTS2RHRH1
SCHEMBL12437859 0.83 TP53 (0.47) OPRK1MEN1KMT2AUTS2RHRH1
SCHEMBL12437719 0.83 MEN1 (0.48) OPRK1MEN1KMT2AUTS2RHRH1
SCHEMBL12437847 0.83 TP53 (0.48) OPRK1UTS2RHRH1CCR3KCNH2

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 OPRK1 980/4885MEN1 3974/4885KMT2A 2446/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD OPRK1 980/4885MEN1 3974/4885KMT2A 2446/4885

“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.