SCHEMBL410421

SCHEMBL410421

CC(C)(C)OC(=O)CCN1C(=O)c2cccc(O)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ANPEP P15144 2/20 0.42
▸ DPP4 P27487 2/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL11327841 0.85 HPGD (0.58) HPGDPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL7358239 0.84 HPGD (0.51) HPGDPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL411064 0.82 PKM (0.50) HPGDPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL7355574 0.82 HPGD (0.46) HPGDPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL7828291 0.81 ANPEP (0.43) HPGDALDH1A1ANPEPDPP4KMT2A
SCHEMBL3790518 0.79 KMT2A (0.52) HPGDPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL12638925 0.77 KMT2A (0.61) HPGDPKMALDH1A1MAPTKMT2A
SCHEMBL31540930 0.76 ANPEP (0.55) HPGDALDH1A1MAPTSMN1; SMN2ANPEP
SCHEMBL6503782 0.76 KMT2A (0.56) HPGDALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL12235610 0.76 ANPEP (0.58) HPGDALDH1A1MAPTSMN1; SMN2ANPEP

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 14 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

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 HPGD 194/4885PKM 648/4885ALDH1A1 301/4885
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS PDE12, PDE10A, PDE4A HPGD 172/4885PKM 1760/4885ALDH1A1 620/4885

“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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