SCHEMBL12437345

SCHEMBL12437345

O=C(NCCCN1CCCC1)c1ccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.51
SLC5A7 Q9GZV3 1/20 0.49
SRD5A1 P18405 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
NAMPT P43490 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 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
SCHEMBL12437776 0.91 SMYD2 (0.49) SMYD2SLC5A7L3MBTL3L3MBTL1HRH3
SCHEMBL12437957 0.88 SLC5A7 (0.51) SMYD2SLC5A7MEN1KMT2ATP53
SCHEMBL12437354 0.88 DRD2 (0.56) SMYD2SLC5A7HRH3TP53CYP1A2
SCHEMBL12437349 0.87 SLC5A7 (0.53) SMYD2SLC5A7HRH3MEN1KMT2A
SCHEMBL12437336 0.86 SLC5A7 (0.50) SMYD2SLC5A7MEN1KMT2ADRD2
SCHEMBL12437332 0.85 UTS2R (0.55) SMYD2SLC5A7MEN1KMT2A
SCHEMBL12437352 0.85 SLC5A7 (0.49) SMYD2SLC5A7HRH3MEN1KMT2A
SCHEMBL12437337 0.84 ALDH1A1 (0.58) SMYD2SLC5A7MEN1KMT2ARAB9A
SCHEMBL12437347 0.84 SLC5A7 (0.51) SMYD2SLC5A7L3MBTL3L3MBTL1HRH3
SCHEMBL12437948 0.83 SLC5A7 (0.56) SLC5A7HRH3MEN1KMT2A

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 SMYD2 2555/4885SLC5A7 4329/4885SRD5A1 1304/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD SMYD2 2555/4885SLC5A7 4329/4885SRD5A1 1304/4885

“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.