SCHEMBL12437423

SCHEMBL12437423

CC1CCCN(CCNC(=O)c2cccc(OC3CCCN(CC(c4ccccc4)c4ccccc4)C3)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC5A7 Q9GZV3 1/20 0.50
CCR3 P51677 1/20 0.49
DRD4 P21917 3/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 5/20 0.43
CCR5 P51681 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD2 P14416 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
SCHEMBL12437399 0.95 MEN1 (0.50) MEN1KMT2ASLC5A7CCR3DRD4
SCHEMBL12437419 0.93 SLC5A7 (0.54) MEN1KMT2ASLC5A7CCR3DRD4
SCHEMBL12437554 0.93 MEN1 (0.60) MEN1KMT2ASLC5A7CCR3DRD4
SCHEMBL12437374 0.91 SLC5A7 (0.53) MEN1KMT2ASLC5A7CCR3DRD4
SCHEMBL12437436 0.91 SLC5A7 (0.53) MEN1KMT2ASLC5A7CCR3DRD4
SCHEMBL12437402 0.90 SLC5A7 (0.54) MEN1KMT2ASLC5A7CCR3DRD4
SCHEMBL12437442 0.90 KMT2A (0.49) MEN1KMT2ASLC5A7CCR3DRD4
SCHEMBL12437418 0.89 KMT2A (0.50) MEN1KMT2ASLC5A7CCR3DRD4
SCHEMBL12437431 0.89 MEN1 (0.58) MEN1KMT2ASLC5A7CCR3HRH3
SCHEMBL12437367 0.88 CYP2C19 (0.57) MEN1KMT2ASLC5A7CCR3DRD4

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.