SCHEMBL23744307

SCHEMBL23744307

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)C[C@@H](C)N1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.47
HRH3 Q9Y5N1 4/20 0.45
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
STS P08842 1/20 0.41
PIK3CD O00329 1/20 0.40

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
SCHEMBL23744182 1.00 GPR119 (0.47) GPR119HRH3CHRM2CHRM1STS
SCHEMBL24945645 0.89 GPR119 (0.49) GPR119PIK3CD
SCHEMBL31027274 0.86 CHRM2 (0.46) GPR119CHRM2CHRM1
SCHEMBL23728096 0.86 GPR119 (0.39) GPR119HRH3CHRM2CHRM1
SCHEMBL26088649 0.86 GPR119 (0.39) GPR119HRH3CHRM2CHRM1
SCHEMBL23744252 0.85 CHRM2 (0.50) HRH3CHRM2CHRM1
SCHEMBL23744444 0.85 CHRM2 (0.50) HRH3CHRM2CHRM1
SCHEMBL23744202 0.85 CHRM2 (0.48) GPR119CHRM2CHRM1STS
SCHEMBL23744255 0.83 CHRM1 (0.48) HRH3CHRM2CHRM1
SCHEMBL23744254 0.83 CHRM1 (0.48) HRH3CHRM2CHRM1

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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 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 (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 GPR119 188/4885HRH3 104/4885CHRM2 2/4885

“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.