SCHEMBL14736150

SCHEMBL14736150

COc1ccccc1-c1cn(C)c(CC(N)=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
TLR8 Q9NR97 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ICMT O60725 8/20 0.42
ADORA2A P29274 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
IKBKB O14920 1/20 0.41

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
SCHEMBL14736630 0.83 PDE10A (0.57) PDE10ATLR8ADORA2A
Hydrochloric Acid SCHEMBL14736343 0.82 PDE10A (0.56) PDE10ATLR8ADORA2A
SCHEMBL259095 0.80 PDE10A (0.54) PDE10ATLR8HDAC3HDAC4HDAC1
SCHEMBL14736638 0.78 PDE10A (0.60) PDE10AHDAC3HDAC4HDAC1HDAC7
SCHEMBL14736660 0.78 PDE10A (0.49) PDE10AMAPT
SCHEMBL14736254 0.75 PDE10A (0.50) PDE10ATLR8HDAC3HDAC4HDAC1
SCHEMBL14736629 0.74 PDE10A (0.56) PDE10AADORA3ADORA1
SCHEMBL30051780 0.68 GSK3A (0.50) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL30755408 0.67 ALDH1A1 (0.61) ATP4AATP4BIKBKBADORA3ADORA1
SCHEMBL2816888 0.67 HSP90AA1 (0.52) ADORA2ATP53MAPTATP4AATP4B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP claimed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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 (1 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A PDE10A 1/4885TLR8 4672/4885HDAC3 770/4885

“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.