SCHEMBL6574095

SCHEMBL6574095

COC(=O)c1cccc(C(CO)OC(=O)OC2CC3CCC(C2)N3C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.50
CHRM5 P08912 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 3/20 0.50
KMT2A Q03164 3/20 0.50
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
HTR2C P28335 2/20 0.50
LMNA P02545 2/20 0.50
BLM P54132 2/20 0.50
CHRM4 P08173 2/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50

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
SCHEMBL6578254 0.86 CHRM2 (0.52) CHRM2CHRM5CHRM1CHRM3KMT2A
SCHEMBL6507484 0.80 HTR3E (0.72) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL6507481 0.80 HTR3E (0.72) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL6574099 0.80 HTR3E (0.50) CHRM2CHRM1CHRM3KMT2AHTR3E
SCHEMBL22311527 0.78 CHRM2 (0.56) CHRM2CHRM5CHRM1CHRM3KMT2A
SCHEMBL6578316 0.78 TSHR (0.50) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL6574111 0.76 CHRM3 (0.41) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL6500328 0.72 HTR3E (0.76) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL6500334 0.72 HTR3E (0.76) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL29609570 0.70 HTR3E (0.72) KMT2AHTR3EHTR3BHTR3AHTR3D

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 3/4885CHRM5 2/4885CHRM1 9/4885

“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.