SCHEMBL6575940

SCHEMBL6575940

CC(C)N(CCC(O)(c1ccccc1)c1cccc(C(=O)O)c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
PGR P06401 1/20 0.46
THRB P10828 1/20 0.46
ADRB3 P13945 1/20 0.46
OPRK1 P41145 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KCNH2 Q12809 1/20 0.46
PDE3A Q14432 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCL2 P10415 9/20 0.43

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
SCHEMBL6574143 0.88 CHRM2 (0.46) CHRM2CHRM1CHRM3SMN1; SMN2SLC22A2
SCHEMBL6576383 0.83 SLC22A2 (0.46) CHRM2CHRM1CHRM3SLC22A2SLC22A1
SCHEMBL6576039 0.82 SMN1; SMN2 (0.50) CHRM2CHRM1CHRM3SMN1; SMN2SLC22A2
SCHEMBL6576158 0.80 SMN1; SMN2 (0.48) CHRM2CHRM1CHRM3SMN1; SMN2SLC22A2
SCHEMBL6577609 0.72 CHRM2 (0.43) CHRM2CHRM1CHRM3SLC22A2SLC22A1
SCHEMBL6576298 0.71 KCNH2 (0.61) CHRM2CHRM1CHRM3SLC22A2SLC22A1
SCHEMBL27709484 0.70 KIF11 (0.45) CHRM2CHRM1CHRM3BLMPMP22
SCHEMBL6576164 0.69 GRM2 (0.43) MEN1KMT2A
SCHEMBL6575350 0.69 CHRM2 (0.50) CHRM2CHRM1CHRM3SMN1; SMN2SLC22A2
SCHEMBL11479945 0.69 KCNH2 (0.59) CHRM2CHRM1CHRM3SLC22A2SLC22A1

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 9/4885CHRM3 1/4885

“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.