SCHEMBL14736629

SCHEMBL14736629

COc1ccccc1-c1cn(C)c(CCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.56
DRD2 P14416 5/20 0.49
PDPK1 O15530 1/20 0.49
CCNB2 O95067 1/20 0.49
PRKCB P05771 1/20 0.49
CDK1 P06493 1/20 0.49
LYN P07948 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
RPS6KA3 P51812 1/20 0.49
CCNA1 P78396 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
IDO1 P14902 1/20 0.47
SUV39H2 Q9H5I1 5/20 0.44
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
ADORA1 P30542 2/20 0.42

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
SCHEMBL14736638 0.86 PDE10A (0.60) PDE10AALDH1A1ADORA3ADORA1
SCHEMBL14736561 0.84 PDE10A (0.51) PDE10AALDH1A1GFER
SCHEMBL14736325 0.80 PDE10A (0.57) PDE10AALDH1A1GFERADORA3ADORA1
SCHEMBL14736640 0.78 PDE10A (0.54) PDE10AIDO1ALDH1A1GFER
SCHEMBL14736076 0.78 IDO1 (0.55) DRD2PDPK1CCNB2PRKCBCDK1
SCHEMBL18764760 0.75 ALDH1A1 (0.50) DRD2ALDH1A1GFER
SCHEMBL17004087 0.75 PDE10A (0.78) PDE10A
Iodide SCHEMBL14736217 0.75 ALDH1A1 (0.46) PDE10AALDH1A1GFERADORA3ADORA1
SCHEMBL14736630 0.75 PDE10A (0.57) PDE10A
SCHEMBL259095 0.74 PDE10A (0.54) PDE10AALDH1A1

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
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 1/4885DRD2 481/4885PDPK1 408/4885

“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.