SCHEMBL901716

SCHEMBL901716

CCOC(=O)/C=C/c1ccc(OC)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAOB P27338 2/20 0.47
MAPT P10636 1/20 0.46
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL14059846 1.00 FDPS (0.51) FDPSCA12CA1CA2CA7
SCHEMBL28505252 0.83 POLB (0.44) FDPSCA12CA1CA2CA7
SCHEMBL30075957 0.83 POLB (0.44) FDPSCA12CA1CA2CA7
SCHEMBL24366924 0.83 CA12 (0.51) FDPSCA12CA1CA2CA7
SCHEMBL14148937 0.83 CA12 (0.51) FDPSCA12CA1CA2CA7
SCHEMBL31145102 0.83 CA12 (0.51) FDPSCA12CA1CA2CA7
SCHEMBL29081899 0.83 CA12 (0.51) FDPSCA12CA1CA2CA7
SCHEMBL22735108 0.82 FDPS (0.47) FDPSCA12CA1CA2CA7
SCHEMBL2078622 0.82 CA12 (0.62) FDPSCA12CA1CA2CA7
SCHEMBL2078623 0.82 CA12 (0.62) FDPSCA12CA1CA2CA7

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
EP-2714041-B1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
EP-2714041-B1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP disclosed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-8975261-B2 Aryloxmethyl cyclopropane derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
EP-2748151-A1 PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-02 EP disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
WO-2013028590-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2013028590-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2012162213-A1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-29 WO disclosed
WO-2012162213-A1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-29 WO disclosed
WO-2012044562-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A FDPS 241/4885CA12 4114/4885CA1 3380/4885
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A FDPS 122/4885CA12 4706/4885CA1 4464/4885

“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.