SCHEMBL2898156

SCHEMBL2898156

Cn1c(-c2cn[nH]c(=O)c2)nnc1N1CCC[C@@H]1c1cc(-c2cc(F)ccc2F)on1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
CNR2 P34972 8/20 0.35
CYP11B2 P19099 1/20 0.35
NTRK1 P04629 3/20 0.34
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
NTRK3 Q16288 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL2898165 1.00 GRM5 (0.38) GRM5CNR2CYP11B2NTRK1HTR3A
SCHEMBL2899198 0.94 GRM5 (0.40) GRM5CNR2CYP11B2HTR3AKCNH2
SCHEMBL2899211 0.94 GRM5 (0.40) GRM5CNR2CYP11B2HTR3AKCNH2
SCHEMBL2898074 0.93 GRM5 (0.42) GRM5CNR2CYP11B2HTR3AKCNH2
SCHEMBL2898065 0.93 GRM5 (0.42) GRM5CNR2CYP11B2HTR3AKCNH2
SCHEMBL2898874 0.88 GRM5 (0.46) GRM5CNR2HTR3AKCNH2HRH3
SCHEMBL2898886 0.88 GRM5 (0.46) GRM5CNR2HTR3AKCNH2HRH3
SCHEMBL2896795 0.83 GRM5 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL2896791 0.83 GRM5 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL2893687 0.83 GRM5 (0.55) GRM5HTR3AKCNH2HRH3HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 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 (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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 GRM5 1/4885CNR2 49/4885CYP11B2 2942/4885

“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.