SCHEMBL4905800

SCHEMBL4905800

CN1C2CCC1CC(CC(O)(c1ccc(F)cc1)c1ccc(F)cc1)C2

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.74
CHRM1 P11229 9/20 0.74
CHRM2 P08172 6/20 0.74
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 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
SCHEMBL3816359 0.85 CHRM3 (0.65) CHRM3CHRM1CHRM2
SCHEMBL4910595 0.85 CHRM3 (0.74) CHRM3CHRM1CHRM2SLC6A3SLC6A2
SCHEMBL1009919 0.85 CHRM3 (1.00) CHRM3CHRM1CHRM2
SCHEMBL1009920 0.85 CHRM3 (1.00) CHRM3CHRM1CHRM2
SCHEMBL4905763 0.85 CHRM3 (0.64) CHRM3CHRM1CHRM2
SCHEMBL4915925 0.83 CHRM3 (0.71) CHRM3CHRM1CHRM2
SCHEMBL3818588 0.81 CHRM3 (0.64) CHRM3CHRM1CHRM2SLC6A3CYP1A2
SCHEMBL4168579 0.79 CHRM3 (0.89) CHRM3CHRM1CHRM2
SCHEMBL4168576 0.79 CHRM3 (0.89) CHRM3CHRM1CHRM2
SCHEMBL3833818 0.78 CHRM3 (0.52) CHRM3CHRM1CHRM2CYP2D6

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-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

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 1/4885CHRM1 3/4885CHRM2 2/4885
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 1/4885CHRM1 27/4885CHRM2 7/4885

“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.