SCHEMBL12437441

SCHEMBL12437441

O=C(NCC(c1ccccc1)N1CCOCC1)c1cccc(OC2CCCN(CC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.50
WDR77 Q9BQA1 2/20 0.50
ALDH1A1 P00352 1/20 0.49
TP53 P04637 3/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCHR1 Q99705 1/20 0.44
THRB P10828 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL12437496 0.92 ATM (0.49) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL12437487 0.90 PRMT5 (0.46) PRMT5WDR77MEN1KMT2A
SCHEMBL12437578 0.90 MEN1 (0.55) PRMT5WDR77ALDH1A1TP53POLB
SCHEMBL12437568 0.89 CYP2D6 (0.51) PRMT5WDR77ALDH1A1TP53MEN1
SCHEMBL12437367 0.87 CYP2C19 (0.57) PRMT5WDR77ALDH1A1TP53POLB
SCHEMBL12437477 0.87 HTT (0.51) ALDH1A1MEN1KMT2A
SCHEMBL12437392 0.85 KDM4E (0.55) PRMT5WDR77ALDH1A1POLBMEN1
SCHEMBL12437569 0.85 KAT6A (0.44) PRMT5WDR77MEN1KMT2AP2RX7
SCHEMBL12437481 0.84 ROCK2 (0.48) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL12437484 0.83 GAA (0.51) PRMT5WDR77THRB

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 PRMT5 2072/4885WDR77 1143/4885ALDH1A1 591/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD PRMT5 2072/4885WDR77 1143/4885ALDH1A1 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.