SCHEMBL8513672

SCHEMBL8513672

O=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(N3CCc4ccncc4C3)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 1.00
NAMPT P43490 1/20 0.47

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
SCHEMBL417085 0.73 PDE10A (1.00) PDE10A
SCHEMBL8513166 0.72 PDE10A (1.00) PDE10A
SCHEMBL8514540 0.71 PDE10A (1.00) PDE10A
SCHEMBL415684 0.70 PDE10A (1.00) PDE10A
SCHEMBL4526775 0.69 RAB9A (0.71) NAMPT
SCHEMBL15238508 0.69 PDGFRB (0.78) PDE10ANAMPT
SCHEMBL17559776 0.69 RAB9A (0.78) NAMPT
SCHEMBL13246207 0.67
SCHEMBL8509924 0.66 PDE10A (0.75) PDE10A
SCHEMBL13246197 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467382-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-06-27 EP claimed
US-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-31 US claimed
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 3/4885NAMPT 613/4885

“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.