SCHEMBL1477063

SCHEMBL1477063

O=Cc1cncc(C#Cc2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
GRM5 P41594 9/20 0.40
EGLN1 Q9GZT9 2/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL1477998 0.84 GRM5 (0.42) GRM5FFAR1
SCHEMBL1476391 0.83 GRM5 (0.50) CHRNB2CHRNA4GRM5ALDH1A1FFAR1
SCHEMBL1477787 0.83 CHRNB2 (0.45) CHRNB2CHRNA4GRM5
SCHEMBL1477568 0.80 CHRNB2 (0.40) CHRNB2CHRNA4GRM5EGLN1ALDH1A1
SCHEMBL1477570 0.80 CHRNB2 (0.40) CHRNB2CHRNA4GRM5EGLN1ALDH1A1
Hydrochloric Acid SCHEMBL1477673 0.78 CHRNB2 (0.39) CHRNB2CHRNA4GRM5EGLN1ALDH1A1
Hydrochloric Acid SCHEMBL1477675 0.78 CHRNB2 (0.39) CHRNB2CHRNA4GRM5EGLN1ALDH1A1
SCHEMBL1814707 0.78 PTGS1 (0.44) GRM5ALDH1A1L3MBTL1FFAR1
SCHEMBL1477326 0.76 CHRNB2 (0.40) CHRNB2CHRNA4GRM5EGLN1EGLN3
SCHEMBL1477324 0.76 CHRNB2 (0.40) CHRNB2CHRNA4GRM5EGLN1EGLN3

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 CHRNB2 57/4885CHRNA4 6/4885GRM5 48/4885

“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.