SCHEMBL23744108

SCHEMBL23744108

O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.76
CHRM1 P11229 4/20 0.76
CHRM4 P08173 4/20 0.63
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SIGMAR1 Q99720 4/20 0.58
DPP7 Q9UHL4 1/20 0.58
CHRM5 P08912 1/20 0.56
CHRM3 P20309 1/20 0.56
SLC6A5 Q9Y345 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
KCNH2 Q12809 1/20 0.52
MCHR1 Q99705 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL23744150 0.89 CHRM2 (0.75) CHRM2CHRM1CHRM4SIGMAR1DPP7
SCHEMBL61328 0.88 CHRM2 (0.67) CHRM2CHRM1CHRM4SIGMAR1CHRM5
SCHEMBL26089883 0.87 CHRM2 (0.64) CHRM2CHRM1CHRM4LMNAMAPT
SCHEMBL29432226 0.86 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL23744053 0.83 CHRM2 (0.68) CHRM2CHRM1CHRM4LMNAMAPT
SCHEMBL3328074 0.78 ACHE (0.60) CHRM2CHRM1CHRM4SIGMAR1SLC6A5
SCHEMBL23744069 0.78 CHRM2 (0.57) CHRM2CHRM1CHRM4SIGMAR1DPP7
SCHEMBL3664764 0.78 CHRM2 (0.55) CHRM2CHRM1CHRM4SIGMAR1CHRM5
SCHEMBL1036032 0.78 PRKAA2 (0.65)
SCHEMBL29432151 0.77 CHRM4 (1.00) CHRM2CHRM1CHRM4CHRM5CHRM3

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 CHRM2 2/4885CHRM1 5/4885CHRM4 1/4885

“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.