SCHEMBL26089447

SCHEMBL26089447

COc1cncc(N2C[C@@H](C)N(C(=O)O)C[C@H]2C)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
JAK3 P52333 4/20 0.36
PIK3CG P48736 1/20 0.36
AR P10275 4/20 0.35
CXCR3 P49682 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
RIPK2 O43353 1/20 0.34
TSHR P16473 1/20 0.34
HDAC1 Q13547 1/20 0.32
CPS1 P31327 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL26088683 1.00 HCAR2 (0.39) HCAR2HRH3JAK3PIK3CGAR
SCHEMBL4573559 0.81 HRH3 (0.45) HRH3JAK3PIK3CGCXCR3FFAR4
SCHEMBL26089849 0.79 HCAR2 (0.39) HCAR2JAK3AR
SCHEMBL26089473 0.79 HCAR2 (0.39) HCAR2JAK3AR
SCHEMBL26090094 0.73 HCAR2 (0.50) HCAR2CPS1
SCHEMBL26089066 0.73 HCAR2 (0.50) HCAR2CPS1
SCHEMBL26088631 0.72 HCAR2 (0.68) HCAR2
SCHEMBL26089556 0.72 HCAR2 (0.68) HCAR2
SCHEMBL2730333 0.70 RAB9A (0.50) HCAR2HRH3HDAC1
SCHEMBL8113244 0.69 MAP4K4 (0.52) HRH3PIK3CGCXCR3HDAC1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 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 (1 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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 HCAR2 76/4885HRH3 104/4885JAK3 2403/4885

“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.