SCHEMBL8514501

SCHEMBL8514501

CC(C)(C)OC(=O)N1CCc2nc(-c3ccncc3)nc(NCCc3ccccn3)c2C1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.72
PRKCI P41743 3/20 0.53
MTOR P42345 1/20 0.45

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
SCHEMBL8513207 0.87 PDE10A (0.55) PDE10APRKCIMTOR
SCHEMBL8514540 0.84 PDE10A (1.00) PDE10A
SCHEMBL9610904 0.76 PDE10A (0.59) PDE10APRKCIMTOR
SCHEMBL21758743 0.75 GBA1 (0.55) PDE10APRKCI
SCHEMBL29915591 0.75 GBA1 (0.55) PDE10APRKCI
SCHEMBL8513166 0.75 PDE10A (1.00) PDE10A
SCHEMBL8514507 0.75 PDE10A (0.57) PDE10A
SCHEMBL8514276 0.74 PDE10A (0.79) PDE10A
SCHEMBL21753164 0.73 MAPT (0.44) PDE10APRKCIMTOR
SCHEMBL21758445 0.73 PDE10A (0.42) PDE10APRKCIMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467382-B1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
EP-2467382-B1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
US-8691827-B2 Amino tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-8691827-B2 Amino tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
EP-2467382-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-06-27 EP disclosed
US-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-31 US disclosed
US-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-31 US disclosed
US-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-31 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 (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-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE10A PDE10A 3/4885PRKCI 2300/4885MTOR 2870/4885

“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.