SCHEMBL5099598

SCHEMBL5099598

CN1C2CCC1CC(CC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.42
CHRM3 P20309 5/20 0.42
CHRM2 P08172 4/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 3/20 0.41
DRD3 P35462 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD5 P21918 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 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
SCHEMBL5109019 1.00 CHRM1 (0.42) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL5096072 0.83 CHRM1 (0.55) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL5096074 0.83 CHRM1 (0.55) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL5099803 0.81 CHRM2 (0.44) CHRM1CHRM3CHRM2
SCHEMBL3817192 0.81 CHRM2 (0.44) CHRM1CHRM3CHRM2
SCHEMBL5102858 0.80 CHRM1 (0.42) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL5096219 0.80 CHRM1 (0.42) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL5096172 0.78 CHRM1 (0.46) CHRM1CHRM3CHRM2SLC6A2SLC6A4
SCHEMBL5096174 0.78 CHRM1 (0.46) CHRM1CHRM3CHRM2SLC6A2SLC6A4
Bromide SCHEMBL5099675 0.78 CHRM3 (0.55) CHRM1CHRM3CHRM2

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 CHRM1 27/4885CHRM3 1/4885CHRM2 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.