SCHEMBL20898486

SCHEMBL20898486

CC(C)(O)C1CCN(c2cc(Cl)ncn2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.54
LRRK2 Q5S007 9/20 0.47
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CCR6 P51684 1/20 0.38
CLK2 P49760 2/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38

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
SCHEMBL29740953 1.00 PRCP (0.54) PRCPLRRK2HRH4HRH3CCR6
SCHEMBL29741229 1.00 PRCP (0.54) PRCPLRRK2HRH4HRH3CCR6
SCHEMBL20898487 1.00 PRCP (0.54) PRCPLRRK2HRH4HRH3CCR6
SCHEMBL20906211 0.88 PRCP (0.46) PRCPLRRK2
SCHEMBL20905522 0.84 PRCP (0.42) PRCPLRRK2HRH4HRH3
SCHEMBL20898476 0.80 LRRK2 (0.48) PRCPLRRK2HRH4CCR6CLK2
SCHEMBL20898477 0.80 LRRK2 (0.48) PRCPLRRK2HRH4CCR6CLK2
SCHEMBL20898965 0.79 LRRK2 (0.44) PRCPLRRK2HRH4HRH3
SCHEMBL25142073 0.78 HRH4 (0.43) HRH4HRH3
SCHEMBL20898492 0.77 LRRK2 (0.47) PRCPLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694330-B1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-19 EP disclosed
EP-3694331-B1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2022-11-16 EP disclosed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO disclosed
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-16 US disclosed
US-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-02 US disclosed
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2021-06-24 US disclosed
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2021-06-24 US disclosed
EP-3694331-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
EP-3694330-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
WO-2019074809-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
WO-2019074810-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO 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 (4 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-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, GRK2, CLK2 PRCP 2050/4885LRRK2 1/4885HRH4 2069/4885
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, BRSK2, CLK2 PRCP 3610/4885LRRK2 1/4885HRH4 734/4885
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, GRK2, CLK2 PRCP 2050/4885LRRK2 1/4885HRH4 2069/4885
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, BRSK2, CLK2 PRCP 3610/4885LRRK2 1/4885HRH4 734/4885

“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.