SCHEMBL14736334

SCHEMBL14736334

CC(C)(C)OC(=O)NCCc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.51
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
BCHE P06276 1/20 0.46
ACACB O00763 5/20 0.45
ACACA Q13085 2/20 0.44
NQO2 P16083 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL1928104 0.98 IDO1 (0.49) IDO1CKS1BSKP1SKP2BCHE
SCHEMBL1929220 0.91 IDO1 (0.46) IDO1CKS1BSKP1SKP2BCHE
SCHEMBL1929560 0.91 NPSR1 (0.50) IDO1CKS1BSKP1SKP2BCHE
SCHEMBL14736426 0.89 IDO1 (0.58) IDO1CKS1BSKP1SKP2BCHE
SCHEMBL14736541 0.87 MAPT (0.46) IDO1NQO2MEN1KMT2AALDH1A1
SCHEMBL1927572 0.86 HDAC1 (0.45) IDO1CKS1BSKP1SKP2BCHE
SCHEMBL1196852 0.85 CYP17A1 (0.42) IDO1BCHENQO2NPSR1HTT
SCHEMBL1928046 0.85 LTA4H (0.47) IDO1LMNA
SCHEMBL1926753 0.84 FAAH (0.40) IDO1
SCHEMBL14736076 0.83 IDO1 (0.55) IDO1BCHENQO2ALDH1A1

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 IDO1 1336/4885CKS1B 1830/4885SKP1 1693/4885

“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.