SCHEMBL8513207

SCHEMBL8513207

CC(C)(C)OC(=O)N1CCc2nc(Cl)nc(NCCc3ccccn3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.55
MAPT P10636 1/20 0.42
PRKCI P41743 1/20 0.40
GRM5 P41594 1/20 0.39
MTOR P42345 1/20 0.39
CFTR P13569 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8514501 0.87 PDE10A (0.72) PDE10APRKCIMTOR
SCHEMBL8587920 0.82 PDE10A (0.76) PDE10A
SCHEMBL15440653 0.82 ACHE (0.49) PDE10AMAPTPRKCIMTOR
SCHEMBL21753160 0.82 PARP1 (0.42) PDE10APRKCIMTOR
SCHEMBL29915677 0.81 MAPT (0.44) MAPT
SCHEMBL21753162 0.81 MAPT (0.44) MAPT
SCHEMBL29915620 0.81 MAPT (0.44) MAPT
SCHEMBL31246456 0.77 MAPT (0.42) PDE10AMAPTPRKCIMTOR
SCHEMBL18303742 0.77 ESR2 (0.45) MTOR
SCHEMBL21758756 0.76 PARP1 (0.49) PRKCIMTOR

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 7 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
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 3/4885MAPT 1101/4885PRKCI 2300/4885

“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.