SCHEMBL12437735

SCHEMBL12437735

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC5A7 Q9GZV3 1/20 0.47
OPRK1 P41145 1/20 0.47
RORC P51449 2/20 0.47
FAAH O00519 1/20 0.46
TP53 P04637 4/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HCRTR1 O43613 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
MCHR2 Q969V1 2/20 0.45
GAA P10253 2/20 0.44
HTT P42858 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
SCHEMBL12437759 0.88 TP53 (0.46) RORCFAAHTP53THRBKDM4E
SCHEMBL12437860 0.85 TP53 (0.49) MEN1KMT2ASLC5A7OPRK1RORC
SCHEMBL12513652 0.84 SLC5A7 (0.51) MEN1KMT2ASLC5A7OPRK1RORC
SCHEMBL12513487 0.84 SLC5A7 (0.55) MEN1KMT2ASLC5A7OPRK1RORC
SCHEMBL12513792 0.83 TP53 (0.44) MEN1KMT2ASLC5A7OPRK1RORC
SCHEMBL12513887 0.83 ALDH1A1 (0.48) MEN1KMT2ASLC5A7OPRK1RORC
SCHEMBL12513480 0.83 SLC5A7 (0.53) MEN1KMT2ASLC5A7OPRK1RORC
SCHEMBL12513927 0.80 SLC5A7 (0.53) MEN1KMT2ASLC5A7RORCFAAH
SCHEMBL12437880 0.79 TP53 (0.49) RORCFAAHTP53THRBKDM4E
SCHEMBL12513659 0.78 OPRK1 (0.53) MEN1KMT2ASLC5A7OPRK1TP53

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 MEN1 3974/4885KMT2A 2446/4885SLC5A7 4329/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MEN1 3974/4885KMT2A 2446/4885SLC5A7 4329/4885

“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.