SCHEMBL13993115

SCHEMBL13993115

CC(C)(C)OC(=O)N1CC=C(c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.64
GRM1 Q13255 11/20 0.53
GRM5 P41594 11/20 0.53
HTR6 P50406 1/20 0.53
NAMPT P43490 1/20 0.52
CNR1 P21554 1/20 0.46
JAK1 P23458 1/20 0.46
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL29691225 1.00 PDK4 (0.64) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL29843888 0.89 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL29580432 0.88 PDK4 (0.67) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL4859866 0.88 PDK4 (0.67) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL4014879 0.87 PDE10A (0.58) PDK4GRM1GRM5HTR6PDE10A
SCHEMBL19818315 0.87 PDK4 (0.65) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL23228626 0.86 PDK4 (0.65) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL24670185 0.86 PDK4 (0.51) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL3326223 0.85 PDK4 (0.65) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL3642397 0.84 PDK4 (0.68) PDK4GRM1GRM5HTR6NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2024-10-22 US disclosed
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 US disclosed
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 US disclosed
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-01-10 US disclosed
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-01-10 US disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed
US-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-04-15 US disclosed
US-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-04-15 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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 (6 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-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 PDK4 4021/4885GRM1 121/4885GRM5 241/4885
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B PDK4 1921/4885GRM1 2/4885GRM5 10/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B PDK4 1921/4885GRM1 2/4885GRM5 10/4885
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 PDK4 4021/4885GRM1 121/4885GRM5 241/4885
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 PDK4 4021/4885GRM1 121/4885GRM5 241/4885
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 PDK4 4021/4885GRM1 121/4885GRM5 241/4885

“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.