SCHEMBL4231995

SCHEMBL4231995

Cn1ccc(-c2nnc3n2CCCCN3Cc2nnn(-c3cccc(Cl)c3)n2)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
SIGMAR1 Q99720 1/20 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
SCHEMBL2892995 0.84 FLT3 (0.39) GRM5ALDH1A1HPGD
SCHEMBL2893412 0.83 ALDH1A1 (0.36) GRM5HTR1AHTR2AALDH1A1HPGD
SCHEMBL2897284 0.81 P2RX7 (0.40) GRM5ALDH1A1HPGD
SCHEMBL2889558 0.81 PSEN1 (0.38) GRM5ALDH1A1ADORA3MAOBADORA2A
SCHEMBL4233819 0.80 P2RX7 (0.40) GRM5
SCHEMBL2893245 0.77 ALDH1A1 (0.36) GRM5ALDH1A1HPGDMAOB
SCHEMBL5740138 0.74 MAOB (0.36) GRM5HTR1AHTR2AALDH1A1HPGD
SCHEMBL4227155 0.73 ALDH1A1 (0.38) GRM5ALDH1A1HPGD
SCHEMBL2898140 0.73 GRM5 (0.42) GRM5
SCHEMBL2898142 0.73 GRM5 (0.42) GRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027129-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 GRM5 1/4885HTR1A 276/4885HTR2A 233/4885

“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.