SCHEMBL12437381

SCHEMBL12437381

O=C(NCCN1CCCCCC1)c1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC5A7 Q9GZV3 1/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL12437413 1.00 HRH3 (0.48) HRH3MEN1KMT2ASLC5A7POLB
SCHEMBL12437383 0.99 MEN1 (0.49) HRH3MEN1KMT2ASLC5A7POLB
SCHEMBL12437567 0.94 TP53 (0.52) HRH3MEN1KMT2ALMNAALDH1A1
SCHEMBL12437364 0.92 HRH3 (0.51) HRH3MEN1KMT2ASLC5A7POLB
SCHEMBL12437388 0.92 HRH3 (0.51) HRH3MEN1KMT2ASLC5A7POLB
SCHEMBL12437416 0.91 MEN1 (0.50) MEN1KMT2ASLC5A7POLBGFER
SCHEMBL12437360 0.90 HRH3 (0.50) HRH3MEN1KMT2ASLC5A7POLB
SCHEMBL12437406 0.90 MEN1 (0.49) HRH3MEN1KMT2APOLBGFER
SCHEMBL12437466 0.90 POLB (0.50) MEN1KMT2ASLC5A7POLBGFER
SCHEMBL12437421 0.89 KMT2A (0.49) HRH3MEN1KMT2ASLC5A7POLB

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 HRH3 788/4885MEN1 3974/4885KMT2A 2446/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD HRH3 788/4885MEN1 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.