SCHEMBL12437610

SCHEMBL12437610

O=C(NC(CN1CCOCC1)c1ccccc1)c1cccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
OPRK1 P41145 3/20 0.49
PRMT5 O14744 2/20 0.49
WDR77 Q9BQA1 2/20 0.49
SLC5A7 Q9GZV3 1/20 0.47
ABCB1 P08183 1/20 0.46
POLB P06746 1/20 0.44
AURKA O14965 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL12437481 0.91 ROCK2 (0.48) KMT2AMEN1ROCK2ROCK1OPRK1
SCHEMBL12437594 0.90 LMNA (0.51) KMT2AMEN1ROCK2ROCK1SLC5A7
SCHEMBL12437608 0.87 KMT2A (0.55) KMT2AMEN1ROCK2ROCK1OPRK1
SCHEMBL12437387 0.86 MEN1 (0.61) KMT2AMEN1OPRK1PRMT5WDR77
SCHEMBL12437359 0.85 MEN1 (0.59) KMT2AMEN1PRMT5WDR77SLC5A7
SCHEMBL13925138 0.83 KMT2A (0.53) KMT2AMEN1OPRK1PRMT5WDR77
SCHEMBL12437578 0.83 MEN1 (0.55) KMT2AMEN1OPRK1PRMT5WDR77
SCHEMBL14435687 0.80 ALDH1A1 (0.53) KMT2AMEN1ROCK2ROCK1SLC5A7
SCHEMBL12513930 0.80 GAA (0.53) KMT2AMEN1OPRK1PRMT5WDR77
SCHEMBL12513922 0.79 ATM (0.52) KMT2AMEN1OPRK1PRMT5WDR77

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 3974/4885ROCK2 3546/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD KMT2A 2446/4885MEN1 3974/4885ROCK2 3546/4885

“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.