SCHEMBL12437332

SCHEMBL12437332

O=C(NCCCN1CCCC1)c1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SLC6A2 P23975 5/20 0.53
SLC6A4 P31645 5/20 0.53
GFER P55789 1/20 0.53
SMYD2 Q9NRG4 2/20 0.52
SLC5A7 Q9GZV3 2/20 0.51
CCR3 P51677 1/20 0.51
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL12513958 0.95 SLC6A2 (0.54) UTS2RKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL12437337 0.94 ALDH1A1 (0.58) UTS2RKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL12437836 0.93 UTS2R (0.51) UTS2RKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL12437330 0.91 SMYD2 (0.51) UTS2RKDM4EALDH1A1SMYD2SLC5A7
SCHEMBL12437835 0.90 MCHR1 (0.54) UTS2RKDM4EALDH1A1GFERSMYD2
SCHEMBL14147057 0.89 GAA (0.58) UTS2RALDH1A1SLC6A2SLC6A4SLC5A7
SCHEMBL12437957 0.89 SLC5A7 (0.51) KDM4EALDH1A1SLC6A2SLC6A4GFER
SCHEMBL12437825 0.88 CCR2 (0.47) UTS2RALDH1A1SLC6A2SLC6A4GFER
SCHEMBL12437349 0.87 SLC5A7 (0.53) ALDH1A1SLC6A2SLC6A4SMYD2SLC5A7
SCHEMBL12437354 0.87 DRD2 (0.56) SMYD2SLC5A7

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 UTS2R 854/4885KDM4E 2107/4885ALDH1A1 591/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD UTS2R 854/4885KDM4E 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.