SCHEMBL6575378

SCHEMBL6575378

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
BCL2 P10415 6/20 0.37
CCR2 P41597 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6576039 0.76 SMN1; SMN2 (0.50) KIF11SMN1; SMN2KCNH2CYP3A4CYP2D6
SCHEMBL6575373 0.68 KIF11 (0.46) KIF11SMN1; SMN2KCNH2CYP3A4CYP2D6
SCHEMBL6578206 0.68 KIF11 (0.45) KIF11SMN1; SMN2KCNH2CYP3A4CYP2D6
SCHEMBL6575383 0.67 KIF11 (0.42) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL6575940 0.65 CHRM2 (0.47) KIF11SMN1; SMN2KCNH2CYP3A4CHRM2
SCHEMBL6574143 0.64 CHRM2 (0.46) SMN1; SMN2KCNH2CYP3A4CHRM2CHRM1
SCHEMBL11638488 0.64 SMN1; SMN2 (0.96) SMN1; SMN2KCNH2CYP2D6CYP2C19CHRM2
SCHEMBL11139511 0.62 SMN1; SMN2 (0.71) KIF11SMN1; SMN2KCNH2CYP2D6CHRM2
SCHEMBL6576158 0.61 SMN1; SMN2 (0.48) KIF11SMN1; SMN2KCNH2CYP3A4CHRM2
SCHEMBL30431728 0.61 SMN1; SMN2 (0.50) KIF11SMN1; SMN2KCNH2CYP3A4CYP2D6

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 KIF11 2185/4885SMN1; SMN2 782/4885KCNH2 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.