SCHEMBL4910595

SCHEMBL4910595

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

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.74
CHRM1 P11229 7/20 0.74
CHRM2 P08172 6/20 0.74
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL4905800 0.85 CHRM3 (0.74) CHRM3CHRM1CHRM2SLC6A2SLC6A4
SCHEMBL1009919 0.85 CHRM3 (1.00) CHRM3CHRM1CHRM2
SCHEMBL1009920 0.85 CHRM3 (1.00) CHRM3CHRM1CHRM2
SCHEMBL4914654 0.83 CHRM3 (0.71) CHRM3CHRM1CHRM2
SCHEMBL4905763 0.82 CHRM3 (0.64) CHRM3CHRM1CHRM2
SCHEMBL4168576 0.79 CHRM3 (0.89) CHRM3CHRM1CHRM2
SCHEMBL4168579 0.79 CHRM3 (0.89) CHRM3CHRM1CHRM2
SCHEMBL4254213 0.77 CHRM3 (0.66) CHRM3CHRM1CHRM2
SCHEMBL3816359 0.77 CHRM3 (0.65) CHRM3CHRM1CHRM2
SCHEMBL5099829 0.76 CHRM3 (0.70) CHRM3CHRM1CHRM2

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.