SCHEMBL6576158

SCHEMBL6576158

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
CCR2 P41597 1/20 0.45
CHRM2 P08172 5/20 0.42
CHRM1 P11229 5/20 0.42
CHRM3 P20309 4/20 0.42
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
OPRK1 P41145 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
PGR P06401 1/20 0.39
THRB P10828 1/20 0.39
ADRB3 P13945 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE3A Q14432 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39

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
SCHEMBL6574097 0.84 CHRM2 (0.41) SMN1; SMN2CCR2CHRM2CHRM1CHRM3
SCHEMBL6576039 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CCR2CHRM2CHRM1CHRM3
SCHEMBL6575940 0.80 CHRM2 (0.47) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL6574143 0.76 CHRM2 (0.46) SMN1; SMN2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL6577617 0.76 CYP3A4 (0.46) CHRM2CHRM1CHRM3SIGMAR1OPRK1
SCHEMBL6576172 0.75 CHRM2 (0.46) CHRM2CHRM1CHRM3ALDH1A1SIGMAR1
SCHEMBL6576125 0.69 KIF11 (0.41) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL2636462 0.67 PDK1 (0.44) CCR2TSHRHTR2AHTR2C
SCHEMBL11638488 0.67 SMN1; SMN2 (0.96) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL25471504 0.67 TSHR (0.36) CCR2SIGMAR1OPRK1CYP3A4TSHR

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 SMN1; SMN2 782/4885CCR2 1443/4885CHRM2 3/4885

“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.