SCHEMBL13697342

SCHEMBL13697342

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PDE4B Q07343 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
USP30 Q70CQ3 1/20 0.37
OPRK1 P41145 6/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL8006120 0.88 EPHX1 (0.60) EPHX1HPGDALDH1A1L3MBTL1MAPT
SCHEMBL3409077 0.88 EPHX1 (0.60) EPHX1HPGDALDH1A1L3MBTL1MAPT
SCHEMBL1134425 0.88 EPHX1 (0.60) EPHX1HPGDALDH1A1L3MBTL1MAPT
SCHEMBL13697320 0.85 EPHX1 (0.57) EPHX1HPGDALDH1A1L3MBTL1MAPT
SCHEMBL3408089 0.82 OPRK1 (0.36) L3MBTL1OPRK1THRBATMMEN1
SCHEMBL20063734 0.81 EPHX1 (0.48) EPHX1HPGDALDH1A1PDE4BL3MBTL1
SCHEMBL8224273 0.81 EPHX1 (0.53) EPHX1HPGDALDH1A1L3MBTL1MAPT
SCHEMBL16945092 0.81 EPHX1 (0.58) EPHX1HPGDALDH1A1PDE4BL3MBTL1
SCHEMBL16321614 0.79 CHRM2 (0.46) EPHX1HPGDALDH1A1MAPTUSP30
SCHEMBL31209785 0.79 CHRM2 (0.46) EPHX1HPGDALDH1A1MAPTUSP30

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 EPHX1 786/4885HPGD 1840/4885ALDH1A1 1847/4885

“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.