SCHEMBL2898874

SCHEMBL2898874

Cn1c(-c2cn[nH]c(=O)c2)nnc1N1CCC[C@@H]1c1cc(-c2cccc(F)c2)on1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.46
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL2898886 1.00 GRM5 (0.46) GRM5HTR3AKCNH2HRH3HCRTR1
SCHEMBL2893687 0.92 GRM5 (0.55) GRM5HTR3AKCNH2HRH3HCRTR1
SCHEMBL2893690 0.92 GRM5 (0.55) GRM5HTR3AKCNH2HRH3HCRTR1
SCHEMBL2896795 0.91 GRM5 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL2896791 0.91 GRM5 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL2898156 0.88 GRM5 (0.38) GRM5HTR3AKCNH2HRH3HCRTR1
SCHEMBL2898165 0.88 GRM5 (0.38) GRM5HTR3AKCNH2HRH3HCRTR1
SCHEMBL2896447 0.88 GRM5 (0.44) GRM5KCNH2HCRTR1HCRTR2CNR2
SCHEMBL2896453 0.88 GRM5 (0.44) GRM5KCNH2HCRTR1HCRTR2CNR2
SCHEMBL2890586 0.86 GRM5 (0.38) GRM5HTR3AHCRTR1HCRTR2CNR2

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 11 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
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO 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 1/4885HTR3A 319/4885KCNH2 1397/4885

“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.