SCHEMBL1476508

SCHEMBL1476508

CON(C)C(=O)c1cncc(C#Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
PTGES O14684 3/20 0.41
GRM5 P41594 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 1/20 0.37
SLC16A3 O15427 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 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
SCHEMBL1477013 0.86 GRM5 (0.49) GRM5KDR
Hydrochloric Acid SCHEMBL1476696 0.85 MAPT (0.51) MAPTPTGESGRM5NPSR1EGLN1
SCHEMBL1477039 0.80 MAPT (0.55) MAPTPTGESGRM5EGLN1KDM4E
Hydrochloric Acid SCHEMBL1477229 0.79 MAPT (0.54) MAPTPTGESGRM5EGLN1KDM4E
SCHEMBL1477293 0.78 MAPT (0.56) MAPTPTGESGRM5PDGFRBSLC16A3
SCHEMBL834425 0.78 MAPT (0.58) MAPTPTGESGRM5KDM4EALDH1A1
SCHEMBL1477412 0.76 MAPT (0.51) MAPTPTGESGRM5EGLN1L3MBTL1
SCHEMBL1479638 0.75 GRM5 (0.56) MAPTGRM5L3MBTL1
SCHEMBL13689283 0.74 MAPT (0.52) MAPTPTGESGRM5PDGFRBSLC16A3
SCHEMBL834845 0.74 CYP2C9 (0.60) MAPTGRM5NPSR1ALDH1A1LMNA

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 MAPT 3882/4885PTGES 2450/4885GRM5 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.