SCHEMBL23554366

SCHEMBL23554366

COC(C)(C)C1CCN(c2cc(Cl)ncn2)C1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.34
MMP2 P08253 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
OGA O60502 1/20 0.32
CYP17A1 P05093 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
CYP2C19 P33261 1/20 0.31
PRCP P42785 1/20 0.30

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
SCHEMBL20898548 0.84 LRRK2 (0.45) LRRK2MMP2ADAMTS5OGACYP17A1
SCHEMBL20905522 0.76 PRCP (0.42) LRRK2OGAGPR119CYP2C19PRCP
SCHEMBL83918 0.73 MMP2 (0.41) LRRK2MMP2ADAMTS5OGACYP17A1
SCHEMBL25142073 0.67 HRH4 (0.43) OGACYP17A1
SCHEMBL31614501 0.66 OGA (0.41) LRRK2OGACYP17A1GPR119CYP2C19
SCHEMBL16382029 0.66 OGA (0.39) MMP2ADAMTS5OGACYP17A1CYP2C19
SCHEMBL22796061 0.65 MAP4K4 (0.49) LRRK2PRCP
SCHEMBL5025356 0.65 ADORA2A (0.45) MMP2ADAMTS5
SCHEMBL20898486 0.65 PRCP (0.54) LRRK2PRCP
SCHEMBL20898487 0.65 PRCP (0.54) LRRK2PRCP

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
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

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-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, GRK2, CLK2 LRRK2 1/4885MMP2 4509/4885ADAMTS5 4839/4885
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, GRK2, CLK2 LRRK2 1/4885MMP2 4509/4885ADAMTS5 4839/4885

“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.