SCHEMBL14736018

SCHEMBL14736018

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.54
▸ HTT P42858 3/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL14736591 0.85 TSHR (0.55) TSHRHTTKMT2AALDH1A1MAPK1
SCHEMBL27032984 0.82 TSHR (0.46) TSHRHTTKMT2AALDH1A1MAPK1
SCHEMBL27133810 0.82 TSHR (0.46) TSHRHTTKMT2AALDH1A1MAPK1
SCHEMBL27032755 0.77 ALDH1A1 (0.46) TSHRHTTKMT2AALDH1A1MAPK1
SCHEMBL27133373 0.77 ALDH1A1 (0.46) TSHRHTTKMT2AALDH1A1MAPK1
SCHEMBL29097063 0.76 ALDH1A1 (0.47) TSHRHTTKMT2AALDH1A1MAPK1
SCHEMBL12050814 0.75 BCHE (0.53) —
SCHEMBL29828468 0.74 ALDH1A1 (0.46) TSHRHTTKMT2AALDH1A1MAPK1
SCHEMBL4890495 0.73 CTSS (0.52) TSHRHTTALDH1A1MAPTGAA
SCHEMBL11625598 0.72 NOTUM (0.55) TSHRHTTKMT2AALDH1A1MAPK1

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 TSHR 797/4885HTT 3082/4885KMT2A 2193/4885

“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.

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