SCHEMBL12437484

SCHEMBL12437484

O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(OC2CCCN(CC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
THRB P10828 2/20 0.47
LMNA P02545 1/20 0.47
HCN4 Q9Y3Q4 1/20 0.46
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL12513930 0.92 GAA (0.53) GAATHRBLMNAHCN4PRMT5
SCHEMBL12437499 0.84 TP53 (0.54) GAALMNAPRMT5WDR77KDM4E
SCHEMBL12437367 0.84 CYP2C19 (0.57) PRMT5WDR77KDM4E
SCHEMBL12437441 0.83 PRMT5 (0.50) THRBPRMT5WDR77
SCHEMBL12437392 0.83 KDM4E (0.55) GAAPRMT5WDR77KDM4E
SCHEMBL12437846 0.83 THRB (0.55) THRBLMNAHCN4TDP1
SCHEMBL12437481 0.81 ROCK2 (0.48) PRMT5WDR77
SCHEMBL12437374 0.81 SLC5A7 (0.53)
SCHEMBL12437436 0.81 SLC5A7 (0.53)
SCHEMBL12437468 0.79 SLC5A7 (0.51) LMNATDP1RAB9A

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 GAA 487/4885THRB 3280/4885LMNA 2809/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD GAA 487/4885THRB 3280/4885LMNA 2809/4885

“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.