SCHEMBL6577643

SCHEMBL6577643

CCOC(=O)C(OC(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.60
CHRM1 P11229 5/20 0.60
PABPC1 P11940 2/20 0.60
BLM P54132 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
CYP2C19 P33261 1/20 0.49
CHRM3 P20309 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
TSHR P16473 1/20 0.48
ADRA1A P35348 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTR3A P46098 1/20 0.46
KCNH2 Q12809 1/20 0.46
CHRNA7 P36544 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
SCHEMBL6575282 0.83 LMNA (0.59) CHRM2CHRM1BLMSMN1; SMN2CHRM3
Tematropium SCHEMBL29388056 0.82 CHRM2 (0.67) CHRM2CHRM1PABPC1BLMSMN1; SMN2
Tematropium SCHEMBL667952 0.76 CHRM2 (0.58) CHRM2CHRM1PABPC1BLMSMN1; SMN2
SCHEMBL6574169 0.76 CHRM2 (0.50) CHRM2CHRM1BLMAPOBEC3AAPOBEC3G
Methylhomatropine SCHEMBL30516140 0.75 CHRM2 (1.00) CHRM2CHRM1PABPC1BLMSMN1; SMN2
Methylhomatropine SCHEMBL17179980 0.75 CHRM2 (1.00) CHRM2CHRM1PABPC1BLMSMN1; SMN2
Methylhomatropine SCHEMBL16784195 0.75 CHRM2 (1.00) CHRM2CHRM1PABPC1BLMSMN1; SMN2
Methylatropine SCHEMBL824874 0.75 CHRM2 (1.00) CHRM2CHRM1PABPC1BLMSMN1; SMN2
Methylatropine SCHEMBL34463463 0.75 CHRM2 (1.00) CHRM2CHRM1PABPC1BLMSMN1; SMN2
Methylhomatropine SCHEMBL77827 0.74 CHRM2 (0.97) CHRM2CHRM1PABPC1BLMSMN1; SMN2

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 CHRM2 3/4885CHRM1 9/4885PABPC1 3698/4885

“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.