SCHEMBL13697341

SCHEMBL13697341

CC(C)(C)OC(=O)N1CC[C@H](N2CCC(N[C@H]3CCCC[C@@H]3OCc3ccccc3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
CHRM2 P08172 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
USP30 Q70CQ3 4/20 0.42
KLK7 P49862 1/20 0.42
STS P08842 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NTSR1 P30989 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3405533 0.91 STS (0.50) JAK2JAK1GPR119KLK7STS
SCHEMBL8002644 0.91 STS (0.50) JAK2JAK1GPR119KLK7STS
SCHEMBL1134427 0.91 STS (0.50) JAK2JAK1GPR119KLK7STS
SCHEMBL13697321 0.89 STS (0.50) JAK2JAK1GPR119USP30KLK7
SCHEMBL3407713 0.88 CHRM2 (0.47) CHRM2MAPTKDM4EALDH1A1
SCHEMBL4101583 0.88 CHRM2 (0.47) CHRM2MAPTKDM4EALDH1A1
SCHEMBL13697342 0.78 EPHX1 (0.48) JAK2JAK1USP30L3MBTL1EPHX1
SCHEMBL31085811 0.76 SMN1; SMN2 (0.55) JAK2JAK1CHRM2GPR119USP30
SCHEMBL21069737 0.76 SMN1; SMN2 (0.55) JAK2JAK1CHRM2GPR119USP30
SCHEMBL22609548 0.76 SMN1; SMN2 (0.55) JAK2JAK1CHRM2GPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 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-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 CHRM1, CHRM2, CHRM3 JAK2 1072/4885JAK1 1173/4885CHRM2 2/4885

“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.