SCHEMBL411064

SCHEMBL411064

CC(C)Oc1cccc2c1C(=O)N(CCC(=O)OC(C)(C)C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.50
▸ PDE10A Q9Y233 10/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL409537 0.84 PDE10A (0.53) PKMPDE10AL3MBTL1CA1CA2
SCHEMBL410421 0.82 HPGD (0.44) PKMPDE10AALDH1A1MAPTSMN1; SMN2
SCHEMBL11327841 0.80 HPGD (0.58) PKMALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7358239 0.79 HPGD (0.51) PKMALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7355574 0.77 HPGD (0.46) PKMALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL12638925 0.72 KMT2A (0.61) PKML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL6503782 0.71 KMT2A (0.56) L3MBTL1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL26813489 0.70 TSHR (0.50) PKMALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL25667511 0.70 HDAC8 (0.58) L3MBTL1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL24255365 0.69 TSHR (0.49) PKMALDH1A1MAPTSMN1; SMN2MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435048-B1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2019-07-03 — — EP disclosed
EP-2435048-B1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2019-07-03 — — EP disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
EP-2632461-A1 ISOINDOLINONE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 — — US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 — — US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 — — US disclosed
WO-2012058133-A1 ISOINDOLINONE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 — — WO disclosed
WO-2012058133-A1 ISOINDOLINONE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 — — WO disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
WO-2010138585-A1 PYRIMIDINONES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 — — WO 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 (2 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-20120064005-A1 RADIOLABELED PDE10 INHIBITORS PDE5A, PDE3A, PDE10A PKM 648/4885PDE10A 3/4885L3MBTL1 4502/4885
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS PDE12, PDE10A, PDE4A PKM 1760/4885PDE10A 2/4885L3MBTL1 3967/4885

“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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