SCHEMBL12437836

SCHEMBL12437836

O=C(NCCCN1CCCC1)c1ccc(OC2CCN(Cc3ccc(C#Cc4ccccc4)cc3)CC2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.51
SMYD2 Q9NRG4 3/20 0.50
DRD2 P14416 4/20 0.48
DRD4 P21917 4/20 0.48
DRD3 P35462 4/20 0.48
CCR3 P51677 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC5A7 Q9GZV3 1/20 0.46
GFER P55789 1/20 0.46
CACNA1G O43497 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46

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
SCHEMBL12437332 0.93 UTS2R (0.55) UTS2RSMYD2CCR3KDM4EALDH1A1
SCHEMBL12513958 0.91 SLC6A2 (0.54) UTS2RSMYD2DRD2DRD4DRD3
SCHEMBL13925242 0.87 SLC5A7 (0.59) DRD2DRD4DRD3CCR3ALDH1A1
SCHEMBL12437729 0.87 TP53 (0.49) UTS2RDRD2DRD4DRD3CCR3
SCHEMBL12437337 0.87 ALDH1A1 (0.58) UTS2RSMYD2KDM4EALDH1A1SLC5A7
SCHEMBL12437330 0.86 SMYD2 (0.51) UTS2RSMYD2CCR3KDM4EALDH1A1
SCHEMBL14147057 0.85 GAA (0.58) UTS2RCCR3ALDH1A1SLC5A7CACNA1G
SCHEMBL12437957 0.83 SLC5A7 (0.51) SMYD2DRD2DRD4DRD3KDM4E
SCHEMBL12437835 0.83 MCHR1 (0.54) UTS2RSMYD2CCR3KDM4EALDH1A1
SCHEMBL12437825 0.83 CCR2 (0.47) UTS2RSMYD2DRD2DRD4DRD3

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 2 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-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 854/4885SMYD2 2555/4885DRD2 1842/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD UTS2R 854/4885SMYD2 2555/4885DRD2 1842/4885

“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.