SCHEMBL12437468

SCHEMBL12437468

O=C(NCCCN1CCCCCC1)c1cccc(OC2CCCN(CC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CCR3 P51677 2/20 0.49
SMYD2 Q9NRG4 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
LMNA P02545 1/20 0.46
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
MC1R Q01726 1/20 0.46
DRD3 P35462 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL12437449 0.97 CCR3 (0.53) SLC5A7MEN1KMT2ATP53CYP1A2
SCHEMBL12437436 0.95 SLC5A7 (0.53) SLC5A7MEN1KMT2ACCR3DRD2
SCHEMBL12437374 0.95 SLC5A7 (0.53) SLC5A7MEN1KMT2ACCR3DRD2
SCHEMBL12437392 0.93 KDM4E (0.55) SLC5A7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL12437415 0.93 SLC5A7 (0.52) SLC5A7MEN1KMT2ATP53CYP1A2
SCHEMBL12437399 0.92 MEN1 (0.50) SLC5A7MEN1KMT2ATP53CCR3
SCHEMBL12437442 0.91 KMT2A (0.49) SLC5A7MEN1KMT2ATDP1CCR3
SCHEMBL12437459 0.90 MEN1 (0.49) SLC5A7MEN1KMT2ANPC1RAB9A
SCHEMBL12437390 0.88 MEN1 (0.51) SLC5A7MEN1KMT2ACCR3LMNA
SCHEMBL12437367 0.88 CYP2C19 (0.57) SLC5A7MEN1KMT2ATP53CYP1A2

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