SCHEMBL3645515

SCHEMBL3645515

Cc1cccc(C#CC=C2CCN(C(=O)Oc3ccc(Br)cn3)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.67
CYP1A2 P05177 6/20 0.67
CYP3A4 P08684 6/20 0.61
CACNA1C Q13936 1/20 0.59
SCN5A Q14524 1/20 0.59

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
SCHEMBL3644247 0.86 GRM5 (0.71) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL13952771 0.82 GRM5 (0.41) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL4259482 0.81 GRM5 (0.75) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL3640981 0.80 GRM5 (1.00) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL3639566 0.78 GRM5 (1.00) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL16502071 0.78 GRM5 (0.71) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL4254669 0.78 GRM5 (0.79) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL3644523 0.77 GRM5 (0.71) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL8086976 0.77 GRM5 (0.75) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL3646119 0.76 GRM5 (0.66) GRM5CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US claimed
EP-2178858-B1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2011-12-28 EP claimed
EP-2178858-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2010-04-28 EP claimed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US claimed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO claimed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
EP-2178858-B1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2011-12-28 EP disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 GRM5 1/4885CYP1A2 3224/4885CYP3A4 2602/4885

“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.