SCHEMBL25019153

SCHEMBL25019153

CC(C)n1cc(C(C)(C)C)c(F)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP1A2 P05177 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL17083376 0.78 CYP1A2 (0.37) ADORA2AADORA1CYP1A2LRRK2
SCHEMBL24238830 0.77 LRRK2 (0.38) ACHECYP1A2LRRK2
SCHEMBL25018457 0.76 ADORA2A (0.41) ADORA2AADORA1LRRK2
SCHEMBL23398734 0.76 ALDH1A1 (0.33) ACHEADORA2AADORA1CYP1A2
SCHEMBL17083396 0.73 LRRK2 (0.35) ACHEADORA2AADORA1LRRK2
SCHEMBL25680600 0.73
SCHEMBL25019042 0.72 ADORA2A (0.37) ACHEADORA2AADORA1CYP1A2LRRK2
SCHEMBL21719963 0.72
SCHEMBL17085012 0.72 KDM4E (0.30)
SCHEMBL25018708 0.71 ADORA2A (0.33) ACHEADORA2AADORA1

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-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 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 (2 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-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B ACHE 1176/4885ADORA2A 744/4885ADORA1 826/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B ACHE 1176/4885ADORA2A 744/4885ADORA1 826/4885

“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.