SCHEMBL1476671

SCHEMBL1476671

N#Cc1cncc(C#Cc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
FFAR1 O14842 1/20 0.46
ABL1 P00519 1/20 0.46
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
PGGT1B P53609 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL29478762 0.82 GRM5 (0.48) GRM5FFAR1ADORA2AADORA1TRPA1
SCHEMBL689277 0.82 GRM5 (0.48) GRM5FFAR1ADORA2AADORA1TRPA1
SCHEMBL30278500 0.81 GRM5 (0.56) GRM5FFAR1
SCHEMBL1477115 0.81 GRM5 (0.53) GRM5CHRNB2CHRNA4
SCHEMBL12812872 0.81 ABL1 (0.62) ABL1FNTAFNTBPGGT1BADORA2A
SCHEMBL1476533 0.80 GRM5 (0.53) GRM5
SCHEMBL1476263 0.78 CHRNB2 (0.57) GRM5FFAR1CHRNB2CHRNA4
SCHEMBL923011 0.76 EPAS1 (0.47) GRM5FFAR1ADORA2AADORA1TRPA1
SCHEMBL1476588 0.76 CHRNB2 (0.54) GRM5CHRNB2CHRNA4
SCHEMBL1477153 0.75 GRM5 (0.57) GRM5CHRNB2CHRNA4

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
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 GRM5 48/4885FFAR1 416/4885ABL1 1959/4885

“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.