SCHEMBL2899224

SCHEMBL2899224

Cn1c(-c2cc[nH]c(=O)c2)nnc1N1CCC[C@@H]1c1cc(-c2cc(Cl)ccc2F)on1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
DRD2 P14416 8/20 0.36
DRD3 P35462 8/20 0.36
KCNH2 Q12809 2/20 0.35
PIK3C3 Q8NEB9 2/20 0.33
AOC3 Q16853 1/20 0.33
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
ACKR3 P25106 1/20 0.32
F9 P00740 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PLAT P00750 2/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL2899231 1.00 GRM5 (0.41) GRM5DRD2DRD3KCNH2PIK3C3
SCHEMBL2894711 0.93 GRM5 (0.37) GRM5DRD2DRD3KCNH2PIK3C3
SCHEMBL2894705 0.93 GRM5 (0.37) GRM5DRD2DRD3KCNH2PIK3C3
SCHEMBL2898065 0.88 GRM5 (0.42) GRM5KCNH2PIK3C3F9F11
SCHEMBL2898074 0.88 GRM5 (0.42) GRM5KCNH2PIK3C3F9F11
SCHEMBL2890641 0.88 HSD11B1 (0.37) PIK3C3F9F11KLKB1HCRTR1
SCHEMBL2892678 0.88 HSD11B1 (0.37) PIK3C3F9F11KLKB1HCRTR1
SCHEMBL2897662 0.87 GRM5 (0.55) GRM5HCRTR1HCRTR2
SCHEMBL2897665 0.87 GRM5 (0.55) GRM5HCRTR1HCRTR2
SCHEMBL2896447 0.84 GRM5 (0.44) GRM5DRD2DRD3KCNH2HCRTR1

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 GRM5 1/4885DRD2 293/4885DRD3 440/4885

“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.