SCHEMBL2893687

SCHEMBL2893687

Cc1cccc(-c2cc([C@H]3CCCN3c3nnc(-c4cn[nH]c(=O)c4)n3C)no2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.55
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SCD5 Q86SK9 1/20 0.35
HTR3A P46098 2/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 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
SCHEMBL2893690 1.00 GRM5 (0.55) GRM5HCRTR1HCRTR2SCD5HTR3A
SCHEMBL2896791 0.92 GRM5 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL2898886 0.92 GRM5 (0.46) GRM5HCRTR1HCRTR2HTR3AKCNH2
SCHEMBL2896795 0.92 GRM5 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL2898874 0.92 GRM5 (0.46) GRM5HCRTR1HCRTR2HTR3AKCNH2
SCHEMBL2890599 0.88 GRM5 (0.46) GRM5HCRTR1HCRTR2SCD5
SCHEMBL2890593 0.88 GRM5 (0.46) GRM5HCRTR1HCRTR2SCD5
SCHEMBL2899198 0.86 GRM5 (0.40) GRM5HCRTR1HCRTR2HTR3AKCNH2
SCHEMBL2899211 0.86 GRM5 (0.40) GRM5HCRTR1HCRTR2HTR3AKCNH2
SCHEMBL2897951 0.86 HCRTR1 (0.40) GRM5HCRTR1HCRTR2SCD5HTR3A

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 8 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
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 1/4885HCRTR1 191/4885HCRTR2 96/4885

“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.