SCHEMBL12437359

SCHEMBL12437359

O=C(NCCCN1CCOCC1)c1cccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SLC5A7 Q9GZV3 1/20 0.58
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
CCR3 P51677 2/20 0.52
PRMT5 O14744 2/20 0.51
WDR77 Q9BQA1 2/20 0.51
NPC1 O15118 2/20 0.49
TMEM97 Q5BJF2 1/20 0.49
RAB9A P51151 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CYP2D6 P10635 1/20 0.48

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
SCHEMBL12437387 0.95 MEN1 (0.61) MEN1KMT2ASLC5A7KDM4EALDH1A1
SCHEMBL12437516 0.90 HRH3 (0.60) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12437392 0.90 KDM4E (0.55) MEN1KMT2ASLC5A7KDM4EALDH1A1
SCHEMBL12437365 0.90 MEN1 (0.61) MEN1KMT2ASLC5A7ALDH1A1CCR3
SCHEMBL12437534 0.89 KMT2A (0.63) MEN1KMT2ASLC5A7ALDH1A1CCR3
SCHEMBL12437356 0.87 MEN1 (0.64) MEN1KMT2ASLC5A7CYP2C9CYP2C19
SCHEMBL12437527 0.86 MEN1 (0.63) MEN1KMT2ASLC5A7CYP2C9CYP2C19
SCHEMBL12437362 0.86 MEN1 (0.63) MEN1KMT2ASLC5A7CYP2C9CYP2C19
SCHEMBL12437431 0.85 MEN1 (0.58) MEN1KMT2ASLC5A7KDM4EALDH1A1
SCHEMBL12437552 0.85 MEN1 (0.65) MEN1KMT2ASLC5A7ALDH1A1CYP2C9

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 2446/4885SLC5A7 4329/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MEN1 3974/4885KMT2A 2446/4885SLC5A7 4329/4885

“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.