SCHEMBL6573969

SCHEMBL6573969

COC(=O)c1cccc(C(O)(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
CHRNA7 P36544 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
CHRM3 P20309 5/20 0.54
CHRM2 P08172 4/20 0.54
CHRM1 P11229 4/20 0.54
CHRM4 P08173 3/20 0.54
CHRM5 P08912 3/20 0.54
CYP2D6 P10635 3/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4002813 0.87 CHRM3 (0.69) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL4888510 0.87 CHRM3 (0.69) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL2452005 0.87 CHRM3 (0.69) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL4888518 0.87 CHRM3 (0.69) HTR3EHTR3BCHRNA7HTR3AHTR3D
Hydrochloric Acid SCHEMBL5705610 0.85 CHRM3 (0.67) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6574174 0.83 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6507484 0.81 HTR3E (0.72) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6507481 0.81 HTR3E (0.72) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6574018 0.76 CHRM3 (0.73) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL12463959 0.76 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383730-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE Aryx Therapeutics (US) 2004-01-28 EP claimed
WO-2002096855-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE ARYX THERAPEUTICS (US) 2002-12-05 WO claimed
US-20020169208-A1 Novel anticholinergic compounds and methods of use ARYX THERAPEUTICS 2002-11-14 US claimed
EP-1383730-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE Aryx Therapeutics (US) 2004-01-28 EP disclosed
WO-2002096855-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE ARYX THERAPEUTICS (US) 2002-12-05 WO disclosed
US-20020169208-A1 Novel anticholinergic compounds and methods of use ARYX THERAPEUTICS 2002-11-14 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-20020169208-A1 Novel anticholinergic compounds and methods of use CHRM3, CHRM5, CHRM2 HTR3E 271/4885HTR3B 173/4885CHRNA7 33/4885

“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.