SCHEMBL1476798

SCHEMBL1476798

Clc1cccc(C#Cc2cncc(Br)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
GRM5 P41594 13/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL1477046 0.80 GRM5 (0.55) CHRNB2CHRNA4GRM5
SCHEMBL1477087 0.80 GRM5 (0.47) GRM5
SCHEMBL1476740 0.80 GRM5 (0.65) CHRNB2CHRNA4GRM5
SCHEMBL1477496 0.80 GRM5 (0.51) CHRNB2CHRNA4GRM5
SCHEMBL1477037 0.80 CHRNB2 (0.54) CHRNB2CHRNA4GRM5KCNH2
SCHEMBL13732174 0.79 GRM5 (0.62) CHRNB2CHRNA4GRM5KCNH2
SCHEMBL4562631 0.78 KCNH2 (0.67) GRM5KCNH2
SCHEMBL30707869 0.78 KCNH2 (0.67) GRM5KCNH2
SCHEMBL30669242 0.77 GRM5 (0.50) CHRNB2CHRNA4GRM5KCNH2
SCHEMBL1477031 0.77 GRM5 (0.50) CHRNB2CHRNA4GRM5KCNH2

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.