SCHEMBL12437481

SCHEMBL12437481

O=C(NC(CN1CCOCC1)c1ccccc1)c1cccc(OC2CCCN(CC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 4/20 0.48
KMT2A Q03164 3/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
MEN1 O00255 2/20 0.44
ABCB1 P08183 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKA O14965 2/20 0.42
CDC7 O00311 1/20 0.42
CHEK1 O14757 1/20 0.42
JAK2 O60674 1/20 0.42
PAK4 O96013 1/20 0.42
NTRK1 P04629 1/20 0.42
PRKCB P05771 1/20 0.42
INSR P06213 1/20 0.42
RET P07949 1/20 0.42
KIT P10721 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
SCHEMBL12437610 0.91 KMT2A (0.53) ROCK2ROCK1KMT2APRMT5WDR77
SCHEMBL12437478 0.87 KMT2A (0.46) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL12437367 0.87 CYP2C19 (0.57) KMT2APRMT5WDR77MEN1ALDH1A1
SCHEMBL13925119 0.86 KMT2A (0.49) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL12437392 0.85 KDM4E (0.55) KMT2APRMT5WDR77MEN1ALDH1A1
SCHEMBL12437441 0.84 PRMT5 (0.50) KMT2APRMT5WDR77MEN1ALDH1A1
SCHEMBL12437484 0.81 GAA (0.51) PRMT5WDR77
SCHEMBL12437594 0.81 LMNA (0.51) ROCK2ROCK1KMT2AMEN1ABCB1
SCHEMBL12437496 0.80 ATM (0.49) KMT2APRMT5WDR77MEN1ALDH1A1
SCHEMBL12437436 0.79 SLC5A7 (0.53) KMT2AMEN1

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 5 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
WO-2007098086-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2007-08-30 WO 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 ROCK2 3546/4885ROCK1 3060/4885KMT2A 2446/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD ROCK2 3546/4885ROCK1 3060/4885KMT2A 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.