SCHEMBL12437767

SCHEMBL12437767

CCN(CCCNC(=O)c1cnc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(Cl)c1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.44
APP P05067 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IP6K1 Q92551 4/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CXCR3 P49682 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.40
ACKR3 P25106 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL12437728 0.87 APP (0.48) USP7APPMEN1KMT2ATP53
SCHEMBL12437595 0.84 OPRM1 (0.58) USP7APPMEN1KMT2ASIGMAR1
SCHEMBL12437748 0.83 TP53 (0.45) USP7MEN1KMT2ATP53MAPT
SCHEMBL12437612 0.83 MEN1 (0.63) APPMEN1KMT2ATMEM97SIGMAR1
SCHEMBL12437881 0.78 TP53 (0.44) KMT2ATP53IP6K1OPRM1OPRD1
SCHEMBL12437523 0.78 OPRM1 (0.57) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437429 0.77 MEN1 (0.63) MEN1KMT2ASIGMAR1OPRM1OPRD1
SCHEMBL12437952 0.76 MEN1 (0.46) MEN1KMT2ATMEM97SIGMAR1OPRM1
SCHEMBL12437566 0.75 MEN1 (0.52) USP7APPMEN1KMT2ATMEM97
SCHEMBL12437721 0.74 MEN1 (0.45) MEN1KMT2AOPRM1OPRD1ALDH1A1

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 7 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 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-2008133975-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2008-11-06 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 (3 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS USP7 1942/4885APP 4696/4885MEN1 3570/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD USP7 1358/4885APP 3607/4885MEN1 3974/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD USP7 1358/4885APP 3607/4885MEN1 3974/4885

“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.