SCHEMBL4255281

SCHEMBL4255281

Cc1cccc(C#CC(C2CCN(C(=O)O)CC2)N(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.44
CYP3A4 P08684 4/20 0.44
CYP1A2 P05177 6/20 0.42
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL3642247 0.86 GRM5 (0.56) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL4256707 0.85 GRM5 (0.43) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL4258258 0.84 GRM5 (0.43) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL4251839 0.81 GRM5 (0.40) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL4254700 0.80 GRM5 (0.44) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL4259026 0.74 GRM5 (0.46) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL3643599 0.71 GRM5 (0.59) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL3645956 0.70 GRM5 (0.58) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL4254669 0.68 GRM5 (0.79) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL3640724 0.68 GRM5 (0.55) GRM5CYP3A4CYP1A2CACNA1CSCN5A

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 4 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
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US claimed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 GRM5 1/4885CYP3A4 2602/4885CYP1A2 3224/4885

“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.