SCHEMBL12437336

SCHEMBL12437336

O=C(NCCCCN1CCCC1)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 1/20 0.50
CCR2 P41597 1/20 0.49
DRD2 P14416 7/20 0.49
DRD3 P35462 7/20 0.49
DRD4 P21917 3/20 0.49
SMYD2 Q9NRG4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
ADRA1A P35348 1/20 0.45
CCR3 P51677 2/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL12437957 0.97 SLC5A7 (0.51) SLC5A7CCR2DRD2DRD3DRD4
SCHEMBL12437948 0.94 SLC5A7 (0.56) SLC5A7MEN1KMT2AALDH1A1CCR3
SCHEMBL12437947 0.93 SLC5A7 (0.56) SLC5A7MEN1KMT2AALDH1A1CCR3
SCHEMBL12437349 0.91 SLC5A7 (0.53) SLC5A7DRD2DRD3DRD4SMYD2
SCHEMBL14435668 0.90 SLC5A7 (0.50) SLC5A7DRD2DRD3MEN1KMT2A
SCHEMBL12437352 0.89 SLC5A7 (0.49) SLC5A7DRD2DRD3DRD4SMYD2
SCHEMBL12437963 0.87 CACNA1G (0.52) ALDH1A1
SCHEMBL12437354 0.87 DRD2 (0.56) SLC5A7CCR2DRD2DRD3SMYD2
SCHEMBL12437952 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1OPRM1OPRD1
SCHEMBL12437332 0.86 UTS2R (0.55) SLC5A7SMYD2MEN1KMT2AALDH1A1

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 5 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
WO-2007098086-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2007-08-30 WO 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 SLC5A7 4329/4885CCR2 3522/4885DRD2 1842/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD SLC5A7 4329/4885CCR2 3522/4885DRD2 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.