SCHEMBL12437846

SCHEMBL12437846

O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HCN4 Q9Y3Q4 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
TP53 P04637 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 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
SCHEMBL12513930 0.91 GAA (0.53) THRBLMNAMEN1KMT2AHCN4
SCHEMBL12437570 0.83 SLC6A5 (0.52) LMNAMEN1KMT2AHRH3TP53
SCHEMBL12437484 0.83 GAA (0.51) THRBLMNAHCN4TDP1
SCHEMBL12437514 0.82 HRH3 (0.67) LMNAMEN1KMT2AHRH3ALDH1A1
SCHEMBL12437440 0.80 TP53 (0.55) THRBLMNAHRH3TP53ALDH1A1
SCHEMBL12437516 0.80 HRH3 (0.60) LMNAMEN1KMT2AHRH3POLB
SCHEMBL12437594 0.79 LMNA (0.51) THRBLMNAMEN1KMT2AHRH3
SCHEMBL12437532 0.78 HRH3 (0.69) LMNAMEN1KMT2AHRH3POLB
SCHEMBL12437525 0.78 HRH3 (0.69) LMNAMEN1KMT2AHRH3POLB
SCHEMBL20217661 0.77 THRB (0.46) THRBLMNAMEN1KMT2AHCN4

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 THRB 3280/4885LMNA 2809/4885MEN1 3974/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD THRB 3280/4885LMNA 2809/4885MEN1 3974/4885

“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.