SCHEMBL26434877

SCHEMBL26434877

C[C@@H]1CN(c2cnc3cc(C(F)(F)F)ccc3n2)C[C@H](C)N1C(=O)OC1CCN(Cc2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.41
CHRM2 P08172 8/20 0.41
CHRM1 P11229 8/20 0.41
PRKAA2 P54646 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM5 P08912 1/20 0.41
CHRM4 P08173 3/20 0.40
HSD11B1 P28845 1/20 0.39
PIK3CA P42336 2/20 0.39
ADRB2 P07550 1/20 0.38
CHEK2 O96017 2/20 0.38

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
SCHEMBL23744713 0.93 CHRM4 (0.47) CHRM2CHRM1PRKAA2CHRM3CHRM5
SCHEMBL23744703 0.91 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL26429677 0.89 HSD11B1 (0.38) CXCR3CHRM2CHRM1PRKAA2CHRM3
SCHEMBL26434902 0.88 CHEK2 (0.46) CXCR3CHRM4CHEK2
SCHEMBL26434941 0.84 CHRM2 (0.57) CXCR3CHRM2CHRM1PRKAA2CHRM3
SCHEMBL23744741 0.84 CHRM2 (0.57) CXCR3CHRM2CHRM1PRKAA2CHRM3
SCHEMBL26429655 0.82 CHRM4 (0.39) CHRM2CHRM1PRKAA2CHRM3CHRM5
SCHEMBL23744655 0.81 CHRM4 (0.47) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744456 0.81 CHRM4 (0.47) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744735 0.81 HRH3 (0.43) CHRM2PRKAA2CHRM4

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 1 patent. 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

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 CXCR3 281/4885CHRM2 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.