SCHEMBL14736600

SCHEMBL14736600

CC(C)(C)OC(=O)N(CCc1nc(-c2ccccc2)n[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
DGAT1 O75907 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
DDX3X O00571 1/20 0.40
PDE10A Q9Y233 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RET P07949 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HPGDS O60760 1/20 0.36
ROCK2 O75116 1/20 0.36
GRK2 P25098 1/20 0.36

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
SCHEMBL14736246 0.88 PRKAB2 (0.48) LMNADGAT1PDE10A
SCHEMBL27962096 0.79 LMNA (0.50) LMNANR1H2NR1H3HDAC6DDX3X
SCHEMBL14736123 0.75 PDE10A (0.42) NR1H2NR1H3RAB9ANPC1POLB
SCHEMBL4073146 0.74 FFAR1 (0.46) LMNANR1H2NR1H3
SCHEMBL27962095 0.74 LMNA (0.53) LMNANR1H2NR1H3HDAC6RAB9A
SCHEMBL14736414 0.72 NR1H3 (0.44) LMNANR1H2NR1H3HDAC6RAB9A
SCHEMBL5115985 0.71 ROCK2 (0.48) LMNAROCK2GRK2
Water SCHEMBL11605037 0.71 NR1H2 (0.55) LMNANR1H2NR1H3HDAC6RAB9A
SCHEMBL3089829 0.69 L3MBTL1 (0.50) LMNAHDAC6RAB9ANPC1HDAC8
SCHEMBL4033927 0.69 LMNA (0.67) LMNANR1H2NR1H3HDAC6RAB9A

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 LMNA 3812/4885NR1H2 1040/4885NR1H3 1485/4885

“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.