SCHEMBL5099803

SCHEMBL5099803

CN1[C@@H]2CC[C@H]1C[C@@H](CC(c1cccc(F)c1)c1cccc(F)c1)C2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44

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
SCHEMBL3817192 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3
SCHEMBL5102858 0.85 CHRM1 (0.42) CHRM2CHRM1CHRM3
SCHEMBL5096219 0.85 CHRM1 (0.42) CHRM2CHRM1CHRM3
SCHEMBL1573268 0.83 CHRM3 (0.57) CHRM2CHRM1CHRM3
SCHEMBL5096174 0.83 CHRM1 (0.46) CHRM2CHRM1CHRM3
SCHEMBL5096172 0.83 CHRM1 (0.46) CHRM2CHRM1CHRM3
SCHEMBL5096074 0.82 CHRM1 (0.55) CHRM2CHRM1CHRM3
SCHEMBL5096072 0.82 CHRM1 (0.55) CHRM2CHRM1CHRM3
SCHEMBL1573079 0.82 CHRM3 (0.47) CHRM2CHRM1CHRM3
SCHEMBL5109019 0.81 CHRM1 (0.42) CHRM2CHRM1CHRM3

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-20080275079-A1 3-Endo)-3-[2,2-Bis-(3-hydroxy-phenyl)-ethenyl]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide; chronic obstructive lung disease, chronic bronchitis, asthma, chronic respiratory obstruction, pulmonary fibrosis, pulmonary emphysema, allergic rhinitis GLAXO GROUP LIMITED 2008-11-06 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-20080275079-A1 3-Endo)-3-[2,2-Bis-(3-hydroxy-phenyl)-ethenyl]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide; chronic obstructive lung disease, chronic bronchitis, asthma, chronic respiratory obstruction, pulmonary fibrosis, pulmonary emphysema, allergic rhinitis CHRM3, EDNRB, BDKRB2 CHRM2 7/4885CHRM1 27/4885CHRM3 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.