Sugi Predict

Sugi Predict / Compounds / SCHEMBL3407654

SCHEMBL3407654

SCHEMBL3407654

CC(C)OC(=O)N1CCC(N2CCC(N3C(=O)OC[C@H]4CCCC[C@@H]43)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.42
▸ CHRM1 P11229 2/20 0.40
▸ OPRM1 P35372 6/20 0.39
▸ OPRL1 P41146 6/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ ACACB O00763 2/20 0.37
▸ ACACA Q13085 2/20 0.37
▸ MBTD1 Q05BQ5 1/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3407790 0.89 CHRM1 (0.37) CHRM2CHRM1OPRM1OPRL1OPRK1
SCHEMBL3405961 0.87 CHRM1 (0.50) CHRM2CHRM1MAPK1TP53TDP1
SCHEMBL3410334 0.86 OPRM1 (0.42) CHRM2CHRM1OPRM1OPRK1GPR119
SCHEMBL3410336 0.86 OPRM1 (0.42) CHRM2CHRM1OPRM1OPRK1GPR119
SCHEMBL3410341 0.86 OPRM1 (0.42) CHRM2CHRM1OPRM1OPRK1GPR119
SCHEMBL3409386 0.83 L3MBTL3 (0.39) OPRM1OPRL1OPRK1MBTD1L3MBTL3
SCHEMBL1928713 0.83 CHRM2 (0.42) CHRM2CHRM1OPRM1OPRL1OPRK1
SCHEMBL3404628 0.81 OPRM1 (0.45) CHRM2CHRM1OPRM1OPRL1OPRK1
SCHEMBL3412749 0.81 EPHX1 (0.44) CHRM2CHRM1GPR119TP53
SCHEMBL3409023 0.81 EPHX1 (0.44) CHRM2CHRM1GPR119TP53

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
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 — — US claimed
EP-2257543-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 AstraZeneca AB (SE) 2010-12-08 — — EP disclosed
WO-2009108117-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 — — WO 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
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 CHRM2 2/4885CHRM1 1/4885OPRM1 6/4885

“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.