SCHEMBL29801686

SCHEMBL29801686

c1ncc2[nH]nc(C3CCC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.35
CYP1A2 P05177 1/20 0.31

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
SCHEMBL27813929 0.74 HCAR2 (0.36) GRM4CYP1A2
SCHEMBL545813 0.67 GRM4 (0.39) GRM4
SCHEMBL30132904 0.67 DYRK1A (0.52) GRM4
SCHEMBL473498 0.67 GRM4 (0.39) GRM4
SCHEMBL421235 0.67 DYRK1A (0.52) GRM4
SCHEMBL352379 0.67 GRM4 (0.39) GRM4
SCHEMBL473390 0.67 GRM4 (0.46) GRM4
SCHEMBL2619233 0.67 GRM4 (0.39) GRM4CYP1A2
SCHEMBL11874314 0.67 GRM4 (0.39) GRM4
SCHEMBL29414359 0.67 GRM4 (0.39) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247031-B2 Cyclobutyl pyrazolopyrimidine PDE9 inhibitors MERCK SHARP & DOHME LLC (US) 2025-03-11 US disclosed
EP-3893881-B1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-10-09 EP disclosed
EP-3893881-A4 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2022-08-17 EP 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-12247031-B2 Cyclobutyl pyrazolopyrimidine PDE9 inhibitors PDE9A, PDE5A, PDE3B GRM4 528/4885CYP1A2 2007/4885

“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.