SCHEMBL23744685

SCHEMBL23744685

C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)[C@@H](C)CN1C(=O)OC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.49
CHRM1 P11229 5/20 0.49
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
CHRM4 P08173 3/20 0.43
PRKAA2 P54646 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
SLC6A9 P48067 3/20 0.40
CCR1 P32246 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
SCHEMBL23744792 0.94 CHRM2 (0.49) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744476 0.93 CHRM2 (0.57) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744646 0.93 CHRM2 (0.57) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744475 0.92 CHRM2 (0.49) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744136 0.92 CHRM2 (0.47) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744318 0.92 CHRM2 (0.47) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL26429671 0.89 CHRM2 (0.40) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL30345619 0.89 CHRM2 (0.40) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744178 0.88 CHRM2 (0.61) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL26432031 0.87 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3CHRM4

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 5/4885CHRM5 3/4885

“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.