SCHEMBL12437608

SCHEMBL12437608

CN(C)CC(NC(=O)c1cccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SLC5A7 Q9GZV3 2/20 0.49
OPRK1 P41145 2/20 0.47
POLB P06746 1/20 0.46
CCR3 P51677 1/20 0.44
RAB9A P51151 2/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PABPC1 P11940 1/20 0.43

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
SCHEMBL13925138 0.92 KMT2A (0.53) KMT2AMEN1SLC5A7OPRK1POLB
SCHEMBL12437478 0.90 KMT2A (0.46) KMT2AMEN1SLC5A7OPRK1RAB9A
SCHEMBL12437610 0.87 KMT2A (0.53) KMT2AMEN1SLC5A7OPRK1POLB
SCHEMBL12437428 0.84 MEN1 (0.66) KMT2AMEN1SLC5A7OPRK1POLB
SCHEMBL12513899 0.81 TP53 (0.57) KMT2AMEN1SLC5A7OPRK1POLB
SCHEMBL12437386 0.79 MEN1 (0.64) KMT2AMEN1SLC5A7OPRK1POLB
SCHEMBL12437437 0.79 MEN1 (0.66) KMT2AMEN1SLC5A7OPRK1POLB
SCHEMBL12437429 0.79 MEN1 (0.63) KMT2AMEN1SLC5A7OPRK1POLB
SCHEMBL12437481 0.78 ROCK2 (0.48) KMT2AMEN1OPRK1ROCK2ROCK1
SCHEMBL12437552 0.78 MEN1 (0.65) KMT2AMEN1SLC5A7POLBCCR3

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

“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.