SCHEMBL14736015

SCHEMBL14736015

CC(C)(Cc1nc(-c2ccccc2)no1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
TSHR P16473 4/20 0.48
NOTUM Q6P988 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL14736589 0.86 PDE10A (0.56) PDE10ATSHRNOTUMALDH1A1KMT2A
SCHEMBL1610079 0.84 TSHR (0.51) TSHRNOTUMALDH1A1KMT2AMEN1
SCHEMBL14846086 0.81 CYP1A2 (0.58) PDE10ATSHRALDH1A1KMT2AMEN1
SCHEMBL3616245 0.79 NOTUM (0.58) TSHRNOTUMALDH1A1KMT2AMEN1
SCHEMBL15471161 0.77 RAB9A (0.63) TSHRNOTUMALDH1A1KMT2AMEN1
SCHEMBL7001602 0.77 ALDH1A1 (0.49) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL29096990 0.77 ALDH1A1 (0.50) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL17144752 0.77 SMN1; SMN2 (0.49) NOTUMALDH1A1KMT2AMEN1HPGD
SCHEMBL29828943 0.76 HPGD (0.49) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL5693650 0.75 HDAC4 (0.43)

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 1/4885TSHR 797/4885NOTUM 2230/4885

“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.