SCHEMBL12437952

SCHEMBL12437952

CN(C)CCCNC(=O)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 1/20 0.46
OPRK1 P41145 2/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
UTS2R Q9UKP6 3/20 0.43
EPHX2 P34913 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
SCHEMBL12437944 0.95 KMT2A (0.47) MEN1KMT2ARAB9AOPRK1HPGD
SCHEMBL12437728 0.89 APP (0.48) MEN1KMT2ATMEM97SIGMAR1ALDH1A1
SCHEMBL12437721 0.88 MEN1 (0.45) MEN1KMT2ARAB9AOPRK1ALDH1A1
SCHEMBL12437719 0.88 MEN1 (0.48) MEN1KMT2ARAB9AOPRK1UTS2R
SCHEMBL12437718 0.87 MEN1 (0.46) MEN1KMT2AOPRK1UTS2REPHX2
SCHEMBL12437957 0.87 SLC5A7 (0.51) MEN1KMT2AOPRK1ALDH1A1OPRM1
SCHEMBL12437336 0.86 SLC5A7 (0.50) MEN1KMT2AOPRK1ALDH1A1OPRM1
SCHEMBL12437962 0.86 OPRK1 (0.45) OPRK1UTS2REPHX2
SCHEMBL12437575 0.86 OPRM1 (0.58) MEN1KMT2ARAB9AHPGDALDH1A1
SCHEMBL12437734 0.85 HRH1 (0.46) MEN1KMT2ARAB9AOPRK1OPRM1

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 MEN1 3974/4885KMT2A 2446/4885RAB9A 3232/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MEN1 3974/4885KMT2A 2446/4885RAB9A 3232/4885

“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.