SCHEMBL6576039

SCHEMBL6576039

Cc1cccc(C(O)(CCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
KIF11 P52732 5/20 0.45
KCNH2 Q12809 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM2 P08172 5/20 0.44
CHRM1 P11229 5/20 0.44
CHRM3 P20309 5/20 0.44
CHRM4 P08173 4/20 0.43
CHRM5 P08912 4/20 0.43
CCR2 P41597 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
OPRK1 P41145 3/20 0.42
HTR2A P28223 2/20 0.42
ADRA1A P35348 2/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6576158 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KIF11KCNH2CYP3A4CHRM2
SCHEMBL6575940 0.82 CHRM2 (0.47) SMN1; SMN2KIF11KCNH2CYP3A4CHRM2
SCHEMBL6576125 0.82 KIF11 (0.41) SMN1; SMN2KIF11KCNH2CYP3A4CYP2D6
SCHEMBL6574143 0.78 CHRM2 (0.46) SMN1; SMN2KCNH2CYP3A4CHRM2CHRM1
SCHEMBL6575378 0.76 KIF11 (0.45) SMN1; SMN2KIF11KCNH2CYP3A4CYP2D6
SCHEMBL6575895 0.75 CHRM2 (0.48) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL6578206 0.71 KIF11 (0.45) SMN1; SMN2KIF11KCNH2CYP3A4CYP2D6
SCHEMBL11638488 0.69 SMN1; SMN2 (0.96) SMN1; SMN2KCNH2CYP2D6CYP2C19CHRM2
SCHEMBL6576298 0.68 KCNH2 (0.61) KCNH2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11139511 0.68 SMN1; SMN2 (0.71) SMN1; SMN2KIF11KCNH2CYP2D6CHRM2

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 782/4885KIF11 2185/4885KCNH2 1044/4885

“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.