SCHEMBL648676

SCHEMBL648676

CC(C)(C)OC(=O)N1CCC(C)(N2CCC(N[C@H]3CCCC[C@@H]3N)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CCR2 P41597 1/20 0.37
HDAC2 Q92769 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PIK3R1 P27986 5/20 0.33
PIK3CA P42336 5/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
PARP1 P09874 1/20 0.32
EPHX2 P34913 2/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL649381 1.00 EPHX1 (0.42) EPHX1CCR2HDAC2HPGDALDH1A1
SCHEMBL646898 0.94 EPHX1 (0.46) EPHX1CCR2HPGDALDH1A1L3MBTL1
SCHEMBL649843 0.94 EPHX1 (0.46) EPHX1CCR2HPGDALDH1A1L3MBTL1
SCHEMBL649748 0.94 EPHX1 (0.46) EPHX1CCR2HPGDALDH1A1L3MBTL1
SCHEMBL649749 0.94 EPHX1 (0.46) EPHX1CCR2HPGDALDH1A1L3MBTL1
SCHEMBL649747 0.94 EPHX1 (0.46) EPHX1CCR2HPGDALDH1A1L3MBTL1
SCHEMBL3409024 0.88 EPHX1 (0.43) EPHX1CCR2HDAC2HPGDALDH1A1
SCHEMBL10092900 0.86 THRB (0.48) HPGDALDH1A1L3MBTL1THRBATM
SCHEMBL649367 0.86 THRB (0.48) HPGDALDH1A1L3MBTL1THRBATM
SCHEMBL647091 0.84 EPHX1 (0.39) EPHX1CCR2HDAC2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 EP disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 EP disclosed
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
EP-2197843-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS AstraZeneca AB (SE) 2010-06-23 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
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 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 (2 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-20090076078-A1 New compounds 966 OPRM1, OPRL1, OPRK1 EPHX1 1797/4885CCR2 723/4885HDAC2 1490/4885
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 CHRM1, CHRM2, CHRM3 EPHX1 786/4885CCR2 522/4885HDAC2 4648/4885

“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.