SCHEMBL25018458

SCHEMBL25018458

CC(C)(C)c1cnn(C2CCOCC2)c1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.42
PDE4D Q08499 2/20 0.37
PDE1C Q14123 6/20 0.34
PDE1A P54750 5/20 0.34
PDE1B Q01064 5/20 0.34
PDE9A O76083 3/20 0.33
SSTR4 P31391 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL17083378 0.81 LRRK2 (0.46) LRRK2PDE4DPDE1CPDE1APDE1B
SCHEMBL17083393 0.80 PDE4D (0.43) LRRK2PDE4DPDE1CPDE1APDE1B
SCHEMBL16985290 0.76 LRRK2 (0.39) LRRK2PDE4DPDE1CPDE1APDE1B
SCHEMBL24813414 0.72 MAPK8 (0.35) LRRK2PDE4DPDE1CPDE1APDE1B
SCHEMBL24813839 0.72 PDE9A (0.36) LRRK2PDE4DPDE1CPDE1APDE1B
SCHEMBL24812192 0.72 LRRK2 (0.35) LRRK2PDE4DPDE1CPDE1APDE1B
SCHEMBL21848989 0.72 MGLL (0.30)
SCHEMBL16985276 0.72 LRRK2 (0.38) LRRK2PDE4DPDE1CPDE1APDE1B
SCHEMBL25832866 0.71 LRRK2 (0.41) LRRK2PDE4DPDE1CPDE1APDE1B
SCHEMBL18701534 0.70 PDK2 (0.33)

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 LRRK2 1/4885PDE4D 944/4885PDE1C 1207/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B LRRK2 1/4885PDE4D 944/4885PDE1C 1207/4885

“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.