SCHEMBL1476764

SCHEMBL1476764

CON=Cc1cncc(C#Cc2cccc(F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
GRM5 P41594 16/20 0.40
SLC6A2 P23975 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
RAF1 P04049 1/20 0.36

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
SCHEMBL1476762 1.00 CHRNB2 (0.43) CHRNB2CHRNA4GRM5SLC6A2CA12
SCHEMBL1477326 0.85 CHRNB2 (0.40) CHRNB2CHRNA4GRM5RAF1
SCHEMBL1477324 0.85 CHRNB2 (0.40) CHRNB2CHRNA4GRM5RAF1
SCHEMBL1477648 0.85 GRM5 (0.42) CHRNB2CHRNA4GRM5RAF1
SCHEMBL1476711 0.85 GRM5 (0.42) CHRNB2CHRNA4GRM5RAF1
SCHEMBL1476710 0.85 GRM5 (0.42) CHRNB2CHRNA4GRM5RAF1
SCHEMBL1478817 0.85 RAF1 (0.47) GRM5RAF1
SCHEMBL1476925 0.85 GRM5 (0.45) GRM5CA12CA1CA2CA9
SCHEMBL1476926 0.85 GRM5 (0.45) GRM5CA12CA1CA2CA9
SCHEMBL1478191 0.85 GRM5 (0.45) GRM5CA12CA1CA2CA9

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.