SCHEMBL23744382

SCHEMBL23744382

O=C(NC1CCN(Cc2ccccc2)CC1)N1C2CC1CN(c1ncc(C(F)(F)F)cn1)C2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.61
CHRM2 P08172 7/20 0.61
CHRM3 P20309 4/20 0.55
SIGMAR1 Q99720 5/20 0.54
CHRM5 P08912 2/20 0.53
CHRM4 P08173 3/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
UBE2M P61081 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.50
SLC6A5 Q9Y345 1/20 0.49
DPP7 Q9UHL4 1/20 0.48

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
SCHEMBL23744640 0.89 CHRM2 (0.77) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL23744585 0.89 CHRM2 (0.77) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL26088912 0.87 CHRM1 (0.51) CHRM1CHRM2CHRM3SIGMAR1CHRM5
SCHEMBL23744495 0.85 CHRM3 (0.69) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL23744150 0.85 CHRM2 (0.75) CHRM1CHRM2CHRM3SIGMAR1CHRM5
SCHEMBL23744148 0.84 SIGMAR1 (0.52) CHRM1CHRM2CHRM3SIGMAR1CHRM5
SCHEMBL26430595 0.84 SIGMAR1 (0.52) CHRM1CHRM2CHRM3SIGMAR1CHRM5
SCHEMBL23744383 0.84 CHRM2 (0.62) CHRM1CHRM2CHRM3SIGMAR1CHRM5
SCHEMBL23744477 0.84 CHRM1 (0.57) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL23744230 0.83 CHRM2 (0.67) CHRM1CHRM2CHRM3SIGMAR1CHRM4

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 CHRM1 5/4885CHRM2 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.