SCHEMBL12437175

SCHEMBL12437175

CC(C)(C)C(CN1CCOCC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 17/20 0.63
KMT2A Q03164 17/20 0.63
NPC1 O15118 1/20 0.60
ATM Q13315 2/20 0.56
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL11923150 0.85 KMT2A (0.52) MEN1KMT2ANPC1ATMHTT
SCHEMBL20711471 0.84 MEN1 (0.50) MEN1KMT2ANPC1ATM
SCHEMBL22299557 0.84 KMT2A (0.49) MEN1KMT2ANPC1ATMNPSR1
SCHEMBL13007693 0.82 MEN1 (0.47) MEN1KMT2ANPC1ATM
SCHEMBL16233184 0.79 ALDH1A1 (0.56) MEN1KMT2ANPC1HTT
SCHEMBL16572388 0.78 ALDH1A1 (0.68) MEN1KMT2ANPC1
SCHEMBL5510459 0.78 ALDH1A1 (0.68) MEN1KMT2ANPC1
SCHEMBL12791127 0.77 MEN1 (0.51) MEN1KMT2ANPC1NPSR1HTT
SCHEMBL469061 0.76 MEN1 (0.51) MEN1KMT2ANPC1HTT
SCHEMBL13271140 0.76 MEN1 (0.50) MEN1KMT2ANPC1ATMNPSR1

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-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

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 MEN1 3570/4885KMT2A 1723/4885NPC1 4111/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD MEN1 3974/4885KMT2A 2446/4885NPC1 4013/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MEN1 3974/4885KMT2A 2446/4885NPC1 4013/4885

“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.