SCHEMBL30935814

SCHEMBL30935814

COc1cc2ccc(-c3nc(C)ccc3-c3cnn(CC4(C)CCC4)c3)cc2nn1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.79
▸ TTK P33981 4/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL23779284 1.00 CHRM4 (0.79) CHRM4TTKLRRK2KDM4E
SCHEMBL23779371 0.96 CHRM4 (0.79) CHRM4TTKLRRK2KDM4E
SCHEMBL31058686 0.96 CHRM4 (0.79) CHRM4TTKLRRK2KDM4E
SCHEMBL30935859 0.92 CHRM4 (0.73) CHRM4TTKLRRK2
SCHEMBL30935822 0.92 CHRM4 (0.79) CHRM4TTKLRRK2
SCHEMBL23779261 0.92 CHRM4 (0.73) CHRM4TTKLRRK2
SCHEMBL23779333 0.92 CHRM4 (0.79) CHRM4TTKLRRK2
SCHEMBL20599438 0.90 CHRM4 (0.72) CHRM4TTKLRRK2
SCHEMBL20602587 0.90 CHRM4 (0.72) CHRM4TTKLRRK2
SCHEMBL22160120 0.90 CHRM4 (0.72) CHRM4TTKLRRK2

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
EP-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 — — EP claimed
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 — — 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-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM1 CHRM4 1/4885TTK 1581/4885LRRK2 1541/4885

“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.

Send feedback