SCHEMBL12437402

SCHEMBL12437402

CCN1CCN(CCNC(=O)c2cccc(OC3CCCN(CC(c4ccccc4)c4ccccc4)C3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CCR3 P51677 1/20 0.51
DRD4 P21917 8/20 0.50
DRD2 P14416 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 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
SCHEMBL12437374 0.93 SLC5A7 (0.53) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437436 0.93 SLC5A7 (0.53) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437419 0.92 SLC5A7 (0.54) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437367 0.90 CYP2C19 (0.57) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437423 0.90 MEN1 (0.51) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437542 0.90 SLC5A7 (0.65) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437449 0.88 CCR3 (0.53) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437468 0.88 SLC5A7 (0.51) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437389 0.87 KMT2A (0.54) SLC5A7MEN1KMT2ACCR3DRD4
SCHEMBL12437410 0.87 MEN1 (0.52) SLC5A7MEN1KMT2ACCR3DRD4

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.