SCHEMBL12437337

SCHEMBL12437337

O=C(NCCCN1CCCC1)c1ccc(OC2CCN(CCc3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
OPRM1 P35372 2/20 0.58
OPRD1 P41143 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMYD2 Q9NRG4 4/20 0.54
SLC5A7 Q9GZV3 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
UTS2R Q9UKP6 2/20 0.52
GLA P06280 1/20 0.51
GFER P55789 1/20 0.50

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 0.94 UTS2R (0.55) ALDH1A1OPRM1OPRD1KMT2AMEN1
SCHEMBL12513958 0.89 SLC6A2 (0.54) ALDH1A1KDM4ESMYD2SLC5A7SLC6A2
SCHEMBL12437957 0.88 SLC5A7 (0.51) ALDH1A1OPRM1OPRD1KMT2AMEN1
SCHEMBL12437836 0.87 UTS2R (0.51) ALDH1A1KDM4ESMYD2SLC5A7SLC6A2
SCHEMBL12437349 0.86 SLC5A7 (0.53) ALDH1A1OPRM1OPRD1KMT2AMEN1
SCHEMBL12437354 0.86 DRD2 (0.56) SMYD2SLC5A7
SCHEMBL12437331 0.85 SLC5A7 (0.54) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL12437336 0.85 SLC5A7 (0.50) ALDH1A1OPRM1OPRD1KMT2AMEN1
SCHEMBL12437330 0.85 SMYD2 (0.51) ALDH1A1KDM4ESMYD2SLC5A7UTS2R
SCHEMBL12437345 0.84 SMYD2 (0.51) KMT2AMEN1SMYD2SLC5A7RAB9A

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 ALDH1A1 591/4885OPRM1 2073/4885OPRD1 779/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD ALDH1A1 591/4885OPRM1 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.