SCHEMBL23744606

SCHEMBL23744606

C[C@@H]1CN(c2ncc(C#N)cn2)[C@@H](C)CN1C(=O)OC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 12/20 0.47
CHRM2 P08172 4/20 0.47
CHRM3 P20309 2/20 0.46
CCR1 P32246 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL23744603 0.93 CHRM2 (0.55) CHRM4CHRM2CHRM3CCR1CHRM1
SCHEMBL23744227 0.92 CHRM4 (0.55) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744079 0.92 CHRM4 (0.55) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744789 0.88 CHRM4 (0.59) CHRM4CHRM2CHRM3CHRM1
SCHEMBL26429773 0.87 GPR119 (0.39) CHRM4CHRM2CHRM3CCR1GPR119
SCHEMBL24945738 0.86 GPR119 (0.52) CHRM2CCR1GPR119CHRM1
SCHEMBL23744793 0.86 CHRM2 (0.51) CHRM4CHRM2CHRM3CCR1GPR119
SCHEMBL23744282 0.84 CHRM4 (0.51) CHRM4CHRM2CHRM3
SCHEMBL23744604 0.84 CHRM4 (0.61) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL26429770 0.82 CHRM2 (0.45) CHRM4CHRM2CHRM3CCR1GPR119

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 CHRM4 1/4885CHRM2 2/4885CHRM3 4/4885

“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.