SCHEMBL415705

SCHEMBL415705

CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(Cl)nc3)[nH]c(=O)c2C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 8/20 0.47
PDE10A Q9Y233 8/20 0.45
MAPT P10636 2/20 0.43
SPR P35270 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
SCHEMBL415023 0.84 MTHFD2 (0.52) MTHFD2PDE10AMAPT
SCHEMBL9610905 0.83 MTHFD2 (0.53) MTHFD2PDE10AMAPTSPR
SCHEMBL415737 0.82 PDE10A (0.55) PDE10AMAPT
SCHEMBL415083 0.77 PDE10A (0.70) PDE10A
SCHEMBL31516387 0.77 MTHFD2 (0.57) MTHFD2SPR
SCHEMBL28647996 0.77 PARP1 (0.47) MTHFD2PDE10AMAPTSPR
SCHEMBL2456754 0.76 SPR (0.46) MTHFD2MAPTSPR
SCHEMBL7884906 0.76 PDE10A (0.76) PDE10A
SCHEMBL6220992 0.75 MAPT (0.43) MTHFD2PDE10AMAPTSPR
SCHEMBL417157 0.75 MAPT (0.45) MTHFD2PDE10AMAPTSPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434885-B1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
EP-2434885-B1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
WO-2010138430-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 WO disclosed
WO-2010138430-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE 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 (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-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE5A MTHFD2 214/4885PDE10A 6/4885MAPT 1064/4885

“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.