SCHEMBL12437487

SCHEMBL12437487

CN1CCN(C(CNC(=O)c2cccc(OC3CCCN(CC(c4ccccc4)c4ccccc4)C3)c2)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.46
WDR77 Q9BQA1 2/20 0.46
CYP2D6 P10635 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC5A7 Q9GZV3 2/20 0.45
SLC1A2 P43004 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCN1 O60741 1/20 0.42
HCN4 Q9Y3Q4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 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
SCHEMBL12437441 0.90 PRMT5 (0.50) PRMT5WDR77MEN1KMT2A
SCHEMBL12513923 0.90 MEN1 (0.57) PRMT5WDR77CYP2D6MEN1KMT2A
SCHEMBL12437568 0.89 CYP2D6 (0.51) PRMT5WDR77CYP2D6MEN1KMT2A
SCHEMBL12437569 0.85 KAT6A (0.44) PRMT5WDR77CYP2D6MEN1KMT2A
SCHEMBL12437477 0.85 HTT (0.51) MEN1KMT2AMAPTTSHR
SCHEMBL12437496 0.83 ATM (0.49) PRMT5WDR77MEN1KMT2AMAPT
SCHEMBL12437436 0.83 SLC5A7 (0.53) MEN1KMT2ASLC5A7CYP2C19
SCHEMBL12437374 0.83 SLC5A7 (0.53) MEN1KMT2ASLC5A7CYP2C19
SCHEMBL12437410 0.83 MEN1 (0.52) MEN1KMT2ASLC5A7
SCHEMBL12437499 0.82 TP53 (0.54) PRMT5WDR77MEN1KMT2ASLC5A7

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 PRMT5 2072/4885WDR77 1143/4885CYP2D6 1488/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD PRMT5 2072/4885WDR77 1143/4885CYP2D6 1488/4885

“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.