SCHEMBL4917433

SCHEMBL4917433

CN1C2CCC1CC(CC(=O)c1ccccc1)C2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CHRNA7 P36544 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
CHRM3 P20309 9/20 0.56
CHRM2 P08172 6/20 0.56
CHRM1 P11229 6/20 0.56
KCNH2 Q12809 1/20 0.49

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
SCHEMBL4917429 1.00 HTR3E (0.56) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL5450057 0.84 ALDH1A1 (0.46) KCNH2
SCHEMBL5450061 0.84 ALDH1A1 (0.46) KCNH2
SCHEMBL3779323 0.81 CHRM3 (0.49) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL13134299 0.81 CHRM3 (0.49) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3521922 0.80 CHRM3 (0.48) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL14410809 0.78 CHRM1 (0.52) CHRM3CHRM2CHRM1
SCHEMBL7000310 0.78 OPRM1 (0.56) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3783317 0.77 CHRM3 (0.46) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL2632406 0.77 MAPT (0.55)

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 HTR3E 238/4885HTR3B 135/4885CHRNA7 10/4885
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 HTR3E 202/4885HTR3B 63/4885CHRNA7 25/4885

“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.