SCHEMBL12437853

SCHEMBL12437853

CN1CCC(CNC(=O)c2ccc(OC3CCN(CC(c4ccccc4)c4ccccc4)CC3)c(Cl)c2)(N(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
UTS2R Q9UKP6 5/20 0.43
OPRK1 P41145 2/20 0.43
SLC5A7 Q9GZV3 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
CCR3 P51677 2/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
EPHX2 P34913 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
DRD4 P21917 1/20 0.38

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 0.94 TP53 (0.47) SLC2A1UTS2ROPRK1MEN1KMT2A
SCHEMBL12437847 0.94 TP53 (0.48) UTS2ROPRK1TP53CCR3HRH1
SCHEMBL12437906 0.89 OPRK1 (0.41) SLC2A1UTS2ROPRK1SLC5A7MEN1
SCHEMBL12437883 0.84 OPRK1 (0.45) SLC2A1UTS2ROPRK1SLC5A7MEN1
SCHEMBL12437944 0.84 KMT2A (0.47) UTS2ROPRK1SLC5A7MEN1KMT2A
SCHEMBL12437734 0.83 HRH1 (0.46) SLC2A1UTS2ROPRK1SLC5A7MEN1
SCHEMBL12437745 0.83 UTS2R (0.59) SLC2A1UTS2RMEN1KMT2AEPHX2
SCHEMBL12437952 0.83 MEN1 (0.46) UTS2ROPRK1MEN1KMT2AEPHX2
SCHEMBL12437763 0.83 UTS2R (0.51) SLC2A1UTS2ROPRK1SLC5A7MEN1
SCHEMBL12437948 0.81 SLC5A7 (0.56) UTS2ROPRK1SLC5A7MEN1KMT2A

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 SLC2A1 3508/4885UTS2R 854/4885OPRK1 980/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD SLC2A1 3508/4885UTS2R 854/4885OPRK1 980/4885

“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.