SCHEMBL5308772

SCHEMBL5308772

CC(=O)OCCOCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ EPHX2 P34913 5/20 0.39
▸ ACKR3 P25106 3/20 0.39
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL15352136 0.86 USP2 (0.44) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL25905171 0.86 SMN1; SMN2 (0.44) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL25678515 0.86 TLR8 (0.46) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL6661328 0.86 USP2 (0.44) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL15435945 0.86 SMN1; SMN2 (0.44) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL22262696 0.86 USP2 (0.44) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL23251655 0.85 USP2 (0.46) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL20572924 0.84 USP2 (0.43) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL25325699 0.84 USP2 (0.43) TLR8USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL21855435 0.84 USP2 (0.43) TLR8USP2SMN1; SMN2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053618-A1 PRODRUGS OF MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS INC. (US) 2007-05-10 — — WO disclosed
US-20070105836-A1 Prodrugs of muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. 2007-05-10 — — US disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 — — EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 — — WO 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-20070105836-A1 Prodrugs of muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM3, CHRM5 TLR8 2079/4885USP2 2273/4885SMN1; SMN2 2182/4885

“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.

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