SCHEMBL2890728

SCHEMBL2890728

Cc1cccc(-c2cc(C3CCCN3c3nnc(-c4cc(=O)[nH]cn4)n3C)no2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
GRM5 P41594 9/20 0.36
SCD5 Q86SK9 1/20 0.35
HSD11B1 P28845 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.33

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
SCHEMBL2890722 1.00 HCRTR1 (0.38) HCRTR1HCRTR2GRM5SCD5HSD11B1
SCHEMBL2896283 0.92 GRM5 (0.42) HCRTR1HCRTR2GRM5HSD11B1
SCHEMBL2896290 0.92 GRM5 (0.42) HCRTR1HCRTR2GRM5HSD11B1
SCHEMBL2890599 0.88 GRM5 (0.46) HCRTR1HCRTR2GRM5SCD5PIK3C3
SCHEMBL2890593 0.88 GRM5 (0.46) HCRTR1HCRTR2GRM5SCD5PIK3C3
SCHEMBL2893687 0.84 GRM5 (0.55) HCRTR1HCRTR2GRM5SCD5
SCHEMBL2893690 0.84 GRM5 (0.55) HCRTR1HCRTR2GRM5SCD5
SCHEMBL2889894 0.82 SCD (0.47) HCRTR1HCRTR2GRM5SCD5
SCHEMBL2889899 0.82 SCD (0.47) HCRTR1HCRTR2GRM5SCD5
SCHEMBL2892678 0.82 HSD11B1 (0.37) HCRTR1HCRTR2HSD11B1PIK3C3

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 4 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-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 HCRTR1 191/4885HCRTR2 96/4885GRM5 1/4885

“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.