SCHEMBL4193537

SCHEMBL4193537

CC(C)(C)OC(=O)NCC1C2CCC1CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
HTT P42858 1/20 0.47
SYK P43405 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
DRD2 P14416 1/20 0.43
GRIN2B Q13224 2/20 0.43
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 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
SCHEMBL20659997 0.92 JAK2 (0.47) PDE4BHTTSYKSMN1; SMN2NPC1
SCHEMBL20659999 0.92 JAK2 (0.47) PDE4BHTTSYKSMN1; SMN2NPC1
SCHEMBL31617924 0.87 NAMPT (0.56) PDE4BHTTSYKSMN1; SMN2NPC1
SCHEMBL28560713 0.85 PDE4B (0.54) PDE4BHTTSYKSMN1; SMN2NPC1
SCHEMBL28560717 0.85 PDE4B (0.54) PDE4BHTTSYKSMN1; SMN2NPC1
SCHEMBL7508945 0.84 SYK (0.47) PDE4BHTTSYKSMN1; SMN2NPC1
SCHEMBL5510912 0.83 CHRM1 (0.45) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5351275 0.83 KDM4E (0.62) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16379327 0.83 SYK (0.51) PDE4BHTTSYKSMN1; SMN2NPC1
SCHEMBL30993456 0.81 JAK2 (0.53) PDE4BHTTSMN1; SMN2NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 PDE4B 755/4885HTT 4058/4885SYK 1758/4885

“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.