SCHEMBL23744148

SCHEMBL23744148

O=C(NC1CCN(Cc2ccccc2)CC1)N1C[C@@H]2C[C@H]1CN2c1ncc(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.52
CHRM2 P08172 5/20 0.52
CHRM1 P11229 5/20 0.52
CHRM3 P20309 3/20 0.52
DRD4 P21917 2/20 0.52
DRD2 P14416 1/20 0.52
SLC6A5 Q9Y345 1/20 0.50
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
CHRM5 P08912 1/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
DPP7 Q9UHL4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL26430595 1.00 SIGMAR1 (0.52) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL26090422 0.87 CHRM2 (0.43) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL26089896 0.87 CHRM2 (0.43) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL23744498 0.86 CHRM5 (0.53) CHRM2CHRM1CHRM3CHRM5PRKAB2
SCHEMBL23744153 0.84 CHRM2 (0.55) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL23744040 0.84 CHRM2 (0.55) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL23744508 0.84 CHRM2 (0.60) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL23744729 0.84 CHRM1 (0.48) SIGMAR1CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744506 0.84 CHRM2 (0.60) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL23744246 0.84 CHRM1 (0.48) SIGMAR1CHRM2CHRM1CHRM3CHRM5

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 SIGMAR1 343/4885CHRM2 2/4885CHRM1 5/4885

“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.