SCHEMBL12437679

SCHEMBL12437679

COc1cc(C(=O)NCCC2CCCN2C)ccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TLR9 Q9NR96 2/20 0.52
TLR8 Q9NR97 2/20 0.52
TLR7 Q9NYK1 2/20 0.52
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
RAB9A P51151 1/20 0.46
ACKR3 P25106 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL12437087 0.90 MEN1 (0.47) SLC5A7MEN1KMT2ATLR9TLR8
SCHEMBL12437361 0.86 MEN1 (0.63) SLC5A7MEN1KMT2ARAB9A
SCHEMBL12437663 0.86 OPRM1 (0.54) SLC5A7MEN1KMT2ARAB9A
SCHEMBL12437384 0.85 KMT2A (0.48) MEN1KMT2AACKR3
SCHEMBL12437680 0.85 ABCG2 (0.57) KMT2A
SCHEMBL12437746 0.80 OPRK1 (0.45) SLC5A7MEN1KMT2APDE4APDE4B
SCHEMBL12437454 0.80 HRH3 (0.54) SLC5A7MEN1KMT2ARAB9A
SCHEMBL12437410 0.78 MEN1 (0.52) SLC5A7MEN1KMT2ATLR9TLR8
SCHEMBL12437385 0.78 KMT2A (0.45) MEN1KMT2AACKR3
SCHEMBL12437948 0.77 SLC5A7 (0.56) SLC5A7MEN1KMT2A

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 SLC5A7 4329/4885MEN1 3974/4885KMT2A 2446/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD SLC5A7 4329/4885MEN1 3974/4885KMT2A 2446/4885

“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.