SCHEMBL23523271

SCHEMBL23523271

O=C(O)N1CC[C@H](C(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.35
DPP7 Q9UHL4 5/20 0.35
CPN1 P15169 4/20 0.35
CPB2 Q96IY4 4/20 0.35
USP19 O94966 1/20 0.34
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
VNN1 O95497 1/20 0.32
SCN9A Q15858 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
SCHEMBL15019398 1.00 DPP4 (0.35) DPP4DPP7CPN1CPB2USP19
SCHEMBL28919899 0.88 CPN1 (0.42) DPP4DPP7CPN1CPB2ALDH1A1
SCHEMBL22207510 0.88 CPN1 (0.42) DPP4DPP7CPN1CPB2ALDH1A1
SCHEMBL8513454 0.87 CPN1 (0.37) DPP4DPP7CPN1CPB2DPP8
SCHEMBL321299 0.82 RIPK1 (0.35)
SCHEMBL26694725 0.80 DPP4 (0.36) DPP4DPP7CPN1CPB2DPP8
SCHEMBL13035374 0.79 CPN1 (0.38) DPP4DPP7CPN1CPB2DPP8
SCHEMBL14167608 0.78 CPN1 (0.37) DPP4DPP7CPN1CPB2DPP8
SCHEMBL25291875 0.78 CPN1 (0.37) DPP4DPP7CPN1CPB2DPP8
SCHEMBL22233424 0.78 CPN1 (0.37) DPP4DPP7CPN1CPB2DPP8

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
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
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 DPP4 3825/4885DPP7 2801/4885CPN1 2612/4885
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, GRK2, CLK2 DPP4 3825/4885DPP7 2801/4885CPN1 2612/4885

“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.