SCHEMBL3833818

SCHEMBL3833818

COc1ccc(F)cc1C(O)(CC1CC2CCC(C1)N2C)c1cc(F)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.52
CHRM2 P08172 4/20 0.52
CHRM1 P11229 4/20 0.52
NR3C1 P04150 4/20 0.42
NR3C2 P08235 4/20 0.42
CYP2D6 P10635 1/20 0.41
HTR2A P28223 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
SCHEMBL4914195 0.86 CHRM3 (0.63) CHRM3CHRM2CHRM1
SCHEMBL3818588 0.84 CHRM3 (0.64) CHRM3CHRM2CHRM1CYP2D6
SCHEMBL4157584 0.81 CHRM3 (0.56) CHRM3CHRM2CHRM1
SCHEMBL5428922 0.81 CHRM3 (0.56) CHRM3CHRM2CHRM1
Bromide SCHEMBL5096157 0.80 CHRM3 (0.72) CHRM3CHRM2CHRM1NR3C1NR3C2
SCHEMBL4905800 0.78 CHRM3 (0.74) CHRM3CHRM2CHRM1CYP2D6
SCHEMBL4915925 0.76 CHRM3 (0.71) CHRM3CHRM2CHRM1
SCHEMBL3816359 0.75 CHRM3 (0.65) CHRM3CHRM2CHRM1
SCHEMBL4911939 0.72 CHRM3 (0.65) CHRM3CHRM2CHRM1
SCHEMBL4905763 0.72 CHRM3 (0.64) CHRM3CHRM2CHRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937230-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
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
US-20080234315-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-09-25 US disclosed
EP-1937230-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007016650-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-08 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 (2 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-20080234315-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
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 CHRM3 1/4885CHRM2 7/4885CHRM1 27/4885

“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.