SCHEMBL14736717

SCHEMBL14736717

COC(=O)c1nnn(C[Si](C)(C)C)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PTGES O14684 1/20 0.49
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL14736718 0.90 NPC1 (0.50) LMNAPTGESGAANPSR1TP53
SCHEMBL10642193 0.85 LMNA (0.50) LMNAPTGESGAANPSR1TP53
SCHEMBL21228674 0.83 NPC1 (0.56) LMNAPTGESGAANPSR1TP53
SCHEMBL12251014 0.80 PTGES (0.55) LMNAPTGESGAANPSR1TP53
SCHEMBL11351277 0.79 LMNA (0.48) LMNAPTGESGAANPSR1TP53
SCHEMBL20230733 0.77 PTGES (0.50) LMNAPTGESGAANPSR1TP53
SCHEMBL21220024 0.75 PTGES (0.51) LMNAPTGESGAANPSR1TP53
SCHEMBL4142631 0.74 CYP1A2 (0.73) LMNAPTGESGAANPSR1TP53
SCHEMBL25045436 0.73 LMNA (0.45) LMNATP53SMN1; SMN2ALDH1A1
SCHEMBL1930001 0.73 ALDH1A1 (0.48) LMNAPTGESGAANPSR1TP53

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 4 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
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 LMNA 3812/4885PTGES 1552/4885GAA 250/4885

“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.