SCHEMBL12437730

SCHEMBL12437730

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NC(C)CCN5CCCCCC5)cc4)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
THRB P10828 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.45
ADRB2 P07550 2/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RORC P51449 2/20 0.44
PKM P14618 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
MCHR2 Q969V1 1/20 0.43
NPY5R Q15761 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
SCHEMBL13158785 0.84 CNR2 (0.51) TP53THRBCNR2KDM4EALDH1A1
SCHEMBL12437706 0.82 PTGER4 (0.52) TP53THRBHRH3CNR2KDM4E
SCHEMBL12437769 0.82 HRH3 (0.47) TP53THRBHRH3KDM4EALDH1A1
SCHEMBL12437758 0.82 UTS2R (0.53) TP53THRBKDM4EALDH1A1MAPT
SCHEMBL12437756 0.81 TP53 (0.59) TP53THRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL12437705 0.80 MEN1 (0.50) TP53THRBHRH3CNR2KDM4E
SCHEMBL13158788 0.79 TP53 (0.53) TP53THRBCNR2KDM4EALDH1A1
SCHEMBL12513487 0.79 SLC5A7 (0.55) TP53THRBCNR2MAPTGAA
SCHEMBL12437880 0.78 TP53 (0.49) TP53THRBKDM4EALDH1A1MAPT
SCHEMBL13158246 0.78 TP53 (0.54) TP53THRBKDM4EALDH1A1MAPT

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 TP53 7/4885THRB 3280/4885HRH3 788/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD TP53 7/4885THRB 3280/4885HRH3 788/4885

“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.