SCHEMBL12437835

SCHEMBL12437835

O=C(NCCCN1CCCC1)c1ccc(OC2CCN(Cc3cccc(-c4cccc(Cl)c4)c3)CC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.54
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
UTS2R Q9UKP6 3/20 0.48
SMYD2 Q9NRG4 1/20 0.48
F10 P00742 1/20 0.48
CACNA1G O43497 3/20 0.47
CCR3 P51677 1/20 0.47
CHRM3 P20309 1/20 0.47
NPC1 O15118 1/20 0.46
SLC5A7 Q9GZV3 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL12437332 0.90 UTS2R (0.55) KDM4EALDH1A1UTS2RSMYD2CCR3
SCHEMBL12513958 0.89 SLC6A2 (0.54) MCHR1KDM4EALDH1A1UTS2RSMYD2
SCHEMBL12513928 0.86 TP53 (0.51) KDM4EALDH1A1UTS2RSMYD2CCR3
SCHEMBL12437330 0.85 SMYD2 (0.51) KDM4EALDH1A1UTS2RSMYD2F10
SCHEMBL12437828 0.85 CACNA1G (0.55) KDM4EALDH1A1UTS2RCACNA1G
SCHEMBL12437337 0.84 ALDH1A1 (0.58) KDM4EALDH1A1UTS2RSMYD2NPC1
SCHEMBL12437836 0.83 UTS2R (0.51) KDM4EALDH1A1UTS2RSMYD2CACNA1G
SCHEMBL14147057 0.83 GAA (0.58) ALDH1A1UTS2RF10CACNA1GCCR3
SCHEMBL12437825 0.81 CCR2 (0.47) ALDH1A1UTS2RSMYD2F10SLC5A7
SCHEMBL12437331 0.81 SLC5A7 (0.54) KDM4EALDH1A1UTS2RSMYD2F10

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 5 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
WO-2007098086-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2007-08-30 WO 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 MCHR1 2715/4885KDM4E 2107/4885ALDH1A1 591/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MCHR1 2715/4885KDM4E 2107/4885ALDH1A1 591/4885

“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.