SCHEMBL4050309

SCHEMBL4050309

CC(O)c1cc(-c2ccccc2)on1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
ALDH1A1 P00352 3/20 0.51
NOTUM Q6P988 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2RL1 P55085 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL18974099 1.00 CHRM2 (0.54) CHRM2CHRM1DRD1SLC6A2ADRA1A
SCHEMBL20668990 0.85 CHRM2 (0.56) CHRM2CHRM1DRD1SLC6A2ADRA1A
SCHEMBL2737273 0.85 RAB9A (0.55) CHRM2CHRM1DRD1SLC6A2ADRA1A
SCHEMBL3103383 0.85 GRM5 (0.43) CHRM2CHRM1DRD1SLC6A2ADRA1A
SCHEMBL2962439 0.85 GRM5 (0.43) CHRM2CHRM1DRD1SLC6A2ADRA1A
SCHEMBL2959581 0.85 GRM5 (0.43) CHRM2CHRM1DRD1SLC6A2ADRA1A
SCHEMBL16504181 0.83 MAPK1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4041587 0.83 MLLT1 (0.41) CHRM2CHRM1DRD1SLC6A2ADRA1A
SCHEMBL8232564 0.83 MAP4K4 (0.45) CHRM2CHRM1DRD1SLC6A2ADRA1A
SCHEMBL1544213 0.83 MAPK1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027128-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-02-25 EP disclosed
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1919901-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2007130825-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US disclosed
WO-2007021573-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 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 (3 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-20070259895-A1 MGluR5 modulators VI GRM5, GRIK5, GRM6 CHRM2 423/4885CHRM1 472/4885DRD1 508/4885
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists GRM5, GRM1, GRM2 CHRM2 268/4885CHRM1 186/4885DRD1 155/4885
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM2 CHRM2 268/4885CHRM1 186/4885DRD1 155/4885

“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.