SCHEMBL2890641

SCHEMBL2890641

Cn1c(-c2cc(=O)[nH]cn2)nnc1N1CCC[C@@H]1c1cc(-c2cc(Cl)ccc2F)on1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.33
HCRTR1 O43613 5/20 0.32
HCRTR2 O43614 5/20 0.32
MDM2 Q00987 1/20 0.31
F9 P00740 1/20 0.30
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30
PLAT P00750 2/20 0.30

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
SCHEMBL2892678 1.00 HSD11B1 (0.37) HSD11B1PIK3C3HCRTR1HCRTR2MDM2
SCHEMBL2899224 0.88 GRM5 (0.41) PIK3C3HCRTR1HCRTR2F9F11
SCHEMBL2899231 0.88 GRM5 (0.41) PIK3C3HCRTR1HCRTR2F9F11
SCHEMBL2896283 0.87 GRM5 (0.42) HSD11B1HCRTR1HCRTR2
SCHEMBL2896290 0.87 GRM5 (0.42) HSD11B1HCRTR1HCRTR2
SCHEMBL2898065 0.84 GRM5 (0.42) PIK3C3HCRTR1HCRTR2F9F11
SCHEMBL2898074 0.84 GRM5 (0.42) PIK3C3HCRTR1HCRTR2F9F11
SCHEMBL2890722 0.82 HCRTR1 (0.38) HSD11B1PIK3C3HCRTR1HCRTR2
SCHEMBL2890728 0.82 HCRTR1 (0.38) HSD11B1PIK3C3HCRTR1HCRTR2
SCHEMBL2894705 0.80 GRM5 (0.37) PIK3C3HCRTR1HCRTR2F9F11

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 10 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
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 HSD11B1 3274/4885PIK3C3 4812/4885HCRTR1 191/4885

“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.