SCHEMBL1476740

SCHEMBL1476740

Cc1cccc(C#Cc2cncc(Br)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.65
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
CYP2A6 P11509 1/20 0.40
FFAR1 O14842 2/20 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
SCHEMBL10035460 0.82 ALDH1A1 (0.64) GRM5ALDH1A1MAPK1FFAR1
SCHEMBL1477046 0.80 GRM5 (0.55) GRM5CHRNB2CHRNA4
SCHEMBL1477496 0.80 GRM5 (0.51) GRM5CHRNB2CHRNA4
SCHEMBL1476798 0.80 CHRNB2 (0.48) GRM5CHRNB2CHRNA4
SCHEMBL1477087 0.80 GRM5 (0.47) GRM5
SCHEMBL1476865 0.80 GRM5 (0.65) GRM5CHRNB2CHRNA4
SCHEMBL1476538 0.80 GRM5 (0.51) GRM5EGLN1FFAR1
SCHEMBL4562089 0.78 GRM5 (0.69) GRM5ALDH1A1MAPK1FFAR1
SCHEMBL30469481 0.78 GRM5 (0.69) GRM5ALDH1A1MAPK1FFAR1
SCHEMBL30469478 0.78 GRM5 (0.69) GRM5ALDH1A1MAPK1FFAR1

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 48/4885CHRNB2 57/4885CHRNA4 6/4885

“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.