SCHEMBL12437652

SCHEMBL12437652

CN(C)C(CNC(=O)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
OPRD1 P41143 2/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 1/20 0.46
SLC5A7 Q9GZV3 1/20 0.46
POLB P06746 1/20 0.45
OPRK1 P41145 1/20 0.44
UBE2N P61088 1/20 0.44
RAB9A P51151 4/20 0.43
SRD5A1 P18405 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL12437605 0.91 MEN1 (0.55) OPRM1MEN1KMT2AOPRD1SLC5A7
SCHEMBL12437597 0.85 CYP2D6 (0.50) OPRM1MEN1KMT2AALDH1A1OPRD1
SCHEMBL12437564 0.81 MEN1 (0.44) OPRM1MEN1KMT2AOPRD1SLC5A7
SCHEMBL12437593 0.81 MEN1 (0.55) OPRM1MEN1KMT2AOPRD1SLC5A7
SCHEMBL12437591 0.81 MEN1 (0.55) MEN1KMT2ASLC5A7POLBOPRK1
SCHEMBL12437584 0.81 MEN1 (0.55) OPRM1MEN1KMT2ASLC5A7POLB
SCHEMBL12437575 0.79 OPRM1 (0.58) OPRM1MEN1KMT2AALDH1A1OPRD1
SCHEMBL12437585 0.79 ALDH1A1 (0.47) OPRM1MEN1KMT2AALDH1A1OPRD1
SCHEMBL12437515 0.78 ALDH1A1 (0.54) OPRM1MEN1KMT2AALDH1A1OPRD1
SCHEMBL12437570 0.77 SLC6A5 (0.52) OPRM1MEN1KMT2AALDH1A1OPRD1

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 2073/4885MEN1 3974/4885KMT2A 2446/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD OPRM1 2073/4885MEN1 3974/4885KMT2A 2446/4885

“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.