SCHEMBL12437478

SCHEMBL12437478

CN(C)CC(NC(=O)c1cccc(OC2CCCN(CC(c3ccccc3)c3ccccc3)C2)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
KAT6A Q92794 1/20 0.42
RAB9A P51151 2/20 0.42
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
DGAT2 Q96PD7 1/20 0.41
CTSS P25774 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.41
OPRK1 P41145 3/20 0.40
KCNH2 Q12809 3/20 0.40
UTS2R Q9UKP6 1/20 0.40
OPRM1 P35372 1/20 0.40
FFAR1 O14842 2/20 0.40

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
SCHEMBL12437608 0.90 KMT2A (0.55) KMT2AMEN1ALDH1A1RAB9AROCK2
SCHEMBL13925119 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPK1KAT6A
SCHEMBL12437481 0.87 ROCK2 (0.48) KMT2AMEN1ALDH1A1MAPK1KAT6A
SCHEMBL12437391 0.85 MEN1 (0.53) KMT2AMEN1KAT6ARAB9ASLC5A7
SCHEMBL12437390 0.84 MEN1 (0.51) KMT2AMEN1KAT6ARAB9ASLC5A7
SCHEMBL12437499 0.83 TP53 (0.54) KMT2AMEN1ALDH1A1RAB9AROCK2
SCHEMBL13925138 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1RAB9ASLC5A7
SCHEMBL12437394 0.81 MEN1 (0.51) KMT2AMEN1ALDH1A1KAT6ARAB9A
SCHEMBL12437395 0.81 MEN1 (0.53) KMT2AMEN1KAT6ARAB9ASLC5A7
SCHEMBL12437503 0.80 MCHR1 (0.49) KMT2AMEN1KAT6ARAB9ASLC5A7

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KMT2A 2446/4885MEN1 3974/4885ALDH1A1 591/4885

“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.