SCHEMBL12437898

SCHEMBL12437898

CN(C)C1(CNC(=O)c2ccc(OC3CCN(Cc4ccc5c(c4)Cc4ccccc4-5)CC3)c(Cl)c2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.46
TP53 P04637 2/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
SLC6A5 Q9Y345 2/20 0.41
LMNA P02545 1/20 0.40
CCR3 P51677 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
FAAH O00519 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
SCHEMBL12437913 0.87 UTS2R (0.48) UTS2RTP53OPRM1OPRD1SLC6A5
SCHEMBL12437863 0.84 UTS2R (0.46) UTS2RTP53OPRM1OPRD1SLC6A5
SCHEMBL12437873 0.84 UTS2R (0.47) UTS2RTP53OPRM1OPRD1SLC6A5
SCHEMBL12437878 0.83 UTS2R (0.47) UTS2RTP53OPRM1OPRD1SLC6A5
SCHEMBL12437852 0.82 UTS2R (0.44) UTS2RTP53LMNAKDM4EHTT
SCHEMBL12437896 0.82 UTS2R (0.44) UTS2RTP53OPRM1OPRD1SLC6A5
SCHEMBL12437875 0.82 UTS2R (0.45) UTS2RTP53LMNAKDM4EHTT
SCHEMBL12437847 0.81 TP53 (0.48) UTS2RTP53OPRM1OPRD1SLC6A5
SCHEMBL12437879 0.80 TP53 (0.47) UTS2RTP53OPRM1OPRD1SLC6A5
SCHEMBL12437862 0.80 UTS2R (0.48) UTS2RCCR3MEN1KMT2APOLB

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 UTS2R 854/4885TP53 7/4885OPRM1 2073/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD UTS2R 854/4885TP53 7/4885OPRM1 2073/4885

“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.