SCHEMBL12437707

SCHEMBL12437707

CCCCN(CCCC)CCCNC(=O)c1ccc(OC2CCCN(Cc3ccc4c(c3)c3ccccc3n4CC)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.42
CNR2 P34972 2/20 0.42
FAAH O00519 1/20 0.42
PTGER4 P35408 1/20 0.41
NPY5R Q15761 1/20 0.41
MITF O75030 1/20 0.40
MCHR2 Q969V1 2/20 0.40

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
SCHEMBL12437705 0.90 MEN1 (0.50) RORCALDH1A1MAPTKDM4EGAA
SCHEMBL12437706 0.88 PTGER4 (0.52) RORCALDH1A1MAPTKDM4EGAA
SCHEMBL12437704 0.82 RORC (0.46) RORCALDH1A1MAPTKDM4EGAA
SCHEMBL12437769 0.80 HRH3 (0.47) RORCALDH1A1MAPTKDM4EGAA
SCHEMBL12513652 0.79 SLC5A7 (0.51) RORCALDH1A1MAPTKDM4ETP53
SCHEMBL12437722 0.78 UTS2R (0.45) ALDH1A1MAPTKDM4EGAATP53
SCHEMBL12513927 0.78 SLC5A7 (0.53) RORCALDH1A1MAPTKDM4ELMNA
SCHEMBL12437732 0.77 UTS2R (0.52) MAPTTP53CNR2PTGER4
SCHEMBL12513487 0.75 SLC5A7 (0.55) RORCMAPTGAATP53THRB
SCHEMBL12437758 0.75 UTS2R (0.53) ALDH1A1MAPTKDM4EGAAHTT

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 RORC 1725/4885ALDH1A1 591/4885MAPT 4821/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD RORC 1725/4885ALDH1A1 591/4885MAPT 4821/4885

“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.