SCHEMBL12437757

SCHEMBL12437757

O=C(NCC1CCN(Cc2ccccc2)C1)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
DRD2 P14416 11/20 0.52
DRD4 P21917 11/20 0.52
DRD3 P35462 11/20 0.52
UTS2R Q9UKP6 3/20 0.52
HDAC3 O15379 4/20 0.52
HDAC4 P56524 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC10 Q969S8 4/20 0.52
HDAC11 Q96DB2 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52

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
SCHEMBL12437765 0.96 BCHE (0.59) BCHEDRD2DRD4DRD3UTS2R
SCHEMBL12437763 0.91 UTS2R (0.51) DRD2DRD4DRD3UTS2RHDAC3
SCHEMBL12437664 0.87 HDAC3 (0.58) BCHEDRD2DRD4DRD3HDAC3
SCHEMBL12437581 0.86 MEN1 (0.59) BCHEDRD2DRD4DRD3HDAC3
SCHEMBL12437764 0.84 UTS2R (0.64) DRD2DRD4DRD3UTS2R
SCHEMBL12437535 0.83 BCHE (0.61) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL12513576 0.83 BCHE (0.61) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL12437746 0.82 OPRK1 (0.45) UTS2R
SCHEMBL12437536 0.81 BCHE (0.52) BCHEDRD2DRD4DRD3
SCHEMBL12437948 0.81 SLC5A7 (0.56) UTS2R

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 BCHE 3384/4885DRD2 1842/4885DRD4 1789/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD BCHE 3384/4885DRD2 1842/4885DRD4 1789/4885

“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.