SCHEMBL2894705

SCHEMBL2894705

Cc1ccc(F)c(-c2cc([C@H]3CCCN3c3nnc(-c4cc[nH]c(=O)c4)n3C)no2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
DRD2 P14416 8/20 0.36
DRD3 P35462 8/20 0.36
KCNH2 Q12809 2/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD4 P21917 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.32
F9 P00740 2/20 0.32
F11 P03951 2/20 0.32
KLKB1 P03952 2/20 0.32
CPT1A P50416 1/20 0.31

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
SCHEMBL2894711 1.00 GRM5 (0.37) GRM5DRD2DRD3KCNH2HCRTR1
SCHEMBL2899224 0.93 GRM5 (0.41) GRM5DRD2DRD3KCNH2HCRTR1
SCHEMBL2899231 0.93 GRM5 (0.41) GRM5DRD2DRD3KCNH2HCRTR1
SCHEMBL2899198 0.88 GRM5 (0.40) GRM5KCNH2HCRTR1HCRTR2PIK3C3
SCHEMBL2899211 0.88 GRM5 (0.40) GRM5KCNH2HCRTR1HCRTR2PIK3C3
SCHEMBL2890593 0.87 GRM5 (0.46) GRM5DRD2DRD3HCRTR1HCRTR2
SCHEMBL2890599 0.87 GRM5 (0.46) GRM5DRD2DRD3HCRTR1HCRTR2
SCHEMBL2896447 0.85 GRM5 (0.44) GRM5DRD2DRD3KCNH2HCRTR1
SCHEMBL2896453 0.85 GRM5 (0.44) GRM5DRD2DRD3KCNH2HCRTR1
SCHEMBL2897662 0.83 GRM5 (0.55) GRM5HCRTR1HCRTR2

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 1/4885DRD2 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.