SCHEMBL896643

SCHEMBL896643

CCOC(=O)CC(=O)CCC1CC1c1ccc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
PRNP P04156 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE10A Q9Y233 17/20 0.44
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
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
SCHEMBL902946 1.00 MEN1 (0.45) MEN1PRNPKMT2APDE10ACYSLTR2
SCHEMBL901914 0.74 TRPM5 (0.47) MEN1PRNPKMT2APDE10ACYSLTR2
SCHEMBL901478 0.74 TRPM5 (0.47) MEN1PRNPKMT2APDE10ACYSLTR2
SCHEMBL2136749 0.74 TRPM5 (0.47) MEN1PRNPKMT2APDE10ACYSLTR2
SCHEMBL896940 0.74 TRPM5 (0.47) MEN1PRNPKMT2APDE10ACYSLTR2
SCHEMBL10086286 0.73 PDE10A (0.49) PDE10A
SCHEMBL901926 0.70 PDE10A (0.49) MEN1KMT2APDE10AMAPK1
SCHEMBL16278801 0.69 KMT2A (0.46) MEN1PRNPKMT2APDE10ACYSLTR2
SCHEMBL16278799 0.69 KMT2A (0.46) MEN1PRNPKMT2APDE10ACYSLTR2
SCHEMBL16283539 0.69 KMT2A (0.46) MEN1PRNPKMT2APDE10ACYSLTR2

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-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
EP-2621926-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-07 EP disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US 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 (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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A MEN1 4648/4885PRNP 514/4885KMT2A 1809/4885

“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.