SCHEMBL4308792

SCHEMBL4308792

COc1ccc2nc(C(C)(C)C)c(=O)n(CC(=O)N(CC(C)C)CC(C)C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.36
PDE5A O76074 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PIK3CA P42336 1/20 0.32

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
SCHEMBL4311738 0.92 PDE10A (0.35) PDE10APDE5APIK3CA
SCHEMBL4311454 0.89 PDE10A (0.36) PDE10APDE5A
SCHEMBL4310149 0.89 PDE10A (0.34) PDE10APDE5AHCRTR1HCRTR2
SCHEMBL4316031 0.85 PDE10A (0.37) PDE10APDE5A
SCHEMBL4312044 0.84 PDE10A (0.34) PDE10APDE5AHCRTR1HCRTR2
SCHEMBL4310984 0.83 PDE10A (0.36) PDE10APDE5A
SCHEMBL4305133 0.83 PDE10A (0.36) PDE10APDE5A
SCHEMBL4312355 0.82 PDE10A (0.37) PDE10A
SCHEMBL13912908 0.82 KDM4E (0.42) PDE10A
SCHEMBL4321003 0.81 MTNR1A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 PDE10A 219/4885PDE5A 142/4885HCRTR1 388/4885

“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.