SCHEMBL12437860

SCHEMBL12437860

CCn1c2ccccc2c2cc(CN3CCC(Oc4cccc(C(=O)NCC5(N(C)C)CCCC5)c4)CC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
OPRK1 P41145 1/20 0.48
MCHR2 Q969V1 7/20 0.47
RORC P51449 2/20 0.47
SLC5A7 Q9GZV3 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL12513659 0.93 OPRK1 (0.53) TP53OPRK1SLC5A7MEN1KMT2A
SCHEMBL12513959 0.92 TP53 (0.50) TP53OPRK1SLC5A7MEN1KMT2A
SCHEMBL12437875 0.88 UTS2R (0.45) TP53MCHR2RORCFAAHTHRB
SCHEMBL12437852 0.87 UTS2R (0.44) TP53MCHR2FAAHTHRBALDH1A1
SCHEMBL12437735 0.85 MEN1 (0.51) TP53OPRK1MCHR2RORCSLC5A7
SCHEMBL12437869 0.84 MCHR2 (0.43) TP53MCHR2FAAHTHRBALDH1A1
SCHEMBL12513487 0.84 SLC5A7 (0.55) TP53OPRK1RORCSLC5A7MEN1
SCHEMBL12513938 0.83 OPRK1 (0.56) TP53OPRK1SLC5A7MEN1KMT2A
SCHEMBL12513480 0.83 SLC5A7 (0.53) TP53OPRK1MCHR2RORCSLC5A7
SCHEMBL12513887 0.83 ALDH1A1 (0.48) TP53OPRK1MCHR2RORCSLC5A7

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 TP53 7/4885OPRK1 980/4885MCHR2 3471/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD TP53 7/4885OPRK1 980/4885MCHR2 3471/4885

“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.