SCHEMBL12437334

SCHEMBL12437334

O=C(NCCCCN1CCCC1)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.61
OPRD1 P41143 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
HRH3 Q9Y5N1 6/20 0.60
LMNA P02545 1/20 0.58
RAB9A P51151 3/20 0.54
NPC1 O15118 1/20 0.53
CCR3 P51677 2/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
TMEM97 Q5BJF2 2/20 0.50

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
SCHEMBL12437341 0.97 OPRM1 (0.61) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL12437596 0.96 HRH3 (0.61) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL12437340 0.93 HRH3 (0.68) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL12437532 0.92 HRH3 (0.69) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL12437525 0.92 HRH3 (0.69) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL12437365 0.90 MEN1 (0.61) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL12437516 0.89 HRH3 (0.60) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL12437577 0.88 OPRM1 (0.63) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL12437576 0.88 MEN1 (0.58) OPRM1OPRD1MEN1ALDH1A1KMT2A
SCHEMBL14435668 0.86 SLC5A7 (0.50) OPRM1OPRD1MEN1ALDH1A1KMT2A

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 OPRM1 2073/4885OPRD1 779/4885MEN1 3974/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD OPRM1 2073/4885OPRD1 779/4885MEN1 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.