SCHEMBL12437396

SCHEMBL12437396

CC(CN1CCC(Oc2ccccc2C(=O)NCCCCN2CCCC2)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
DRD4 P21917 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MCHR1 Q99705 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
SCHEMBL12437360 0.94 HRH3 (0.50) MEN1KMT2ALMNADRD2DRD4
SCHEMBL12437388 0.93 HRH3 (0.51) MEN1KMT2ALMNADRD2DRD4
SCHEMBL12437364 0.93 HRH3 (0.51) MEN1KMT2ALMNADRD2DRD4
SCHEMBL12437379 0.90 ALDH1A1 (0.52) MEN1KMT2ALMNATSHRMCHR1
SCHEMBL12437567 0.88 TP53 (0.52) MEN1KMT2ALMNATP53CYP1A2
SCHEMBL12437383 0.85 MEN1 (0.49) MEN1KMT2ALMNADRD2DRD4
SCHEMBL12437385 0.85 KMT2A (0.45) MEN1KMT2ALMNA
SCHEMBL12437413 0.84 HRH3 (0.48) MEN1KMT2ALMNADRD2DRD4
SCHEMBL12437381 0.84 HRH3 (0.48) MEN1KMT2ALMNADRD2DRD4
SCHEMBL12437349 0.83 SLC5A7 (0.53) MEN1KMT2ALMNADRD2DRD3

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 MEN1 3974/4885KMT2A 2446/4885LMNA 2809/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MEN1 3974/4885KMT2A 2446/4885LMNA 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.