SCHEMBL2890599

SCHEMBL2890599

Cc1cccc(-c2cc(C3CCCN3c3nnc(-c4cc[nH]c(=O)c4)n3C)no2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.46
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
SCD5 Q86SK9 1/20 0.36
CPT1A P50416 1/20 0.34
PIK3C3 Q8NEB9 2/20 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
SCHEMBL2890593 1.00 GRM5 (0.46) GRM5HCRTR1HCRTR2DRD2DRD3
SCHEMBL2896453 0.93 GRM5 (0.44) GRM5HCRTR1HCRTR2DRD2DRD3
SCHEMBL2897665 0.93 GRM5 (0.55) GRM5HCRTR1HCRTR2
SCHEMBL2896447 0.93 GRM5 (0.44) GRM5HCRTR1HCRTR2DRD2DRD3
SCHEMBL2897662 0.93 GRM5 (0.55) GRM5HCRTR1HCRTR2
SCHEMBL2890728 0.88 HCRTR1 (0.38) GRM5HCRTR1HCRTR2SCD5PIK3C3
SCHEMBL2890722 0.88 HCRTR1 (0.38) GRM5HCRTR1HCRTR2SCD5PIK3C3
SCHEMBL2893690 0.88 GRM5 (0.55) GRM5HCRTR1HCRTR2SCD5
SCHEMBL2893687 0.88 GRM5 (0.55) GRM5HCRTR1HCRTR2SCD5
SCHEMBL2894705 0.87 GRM5 (0.37) GRM5HCRTR1HCRTR2DRD2DRD3

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 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.