SCHEMBL1476596

SCHEMBL1476596

CO/N=C(\C)c1cncc(C#Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GRM5 P41594 5/20 0.41
PDGFRB P09619 2/20 0.39
PDGFRA P16234 1/20 0.39
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNB1 P11230 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
KDR P35968 1/20 0.35
EGLN1 Q9GZT9 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
SCHEMBL1476598 1.00 MAPT (0.44) MAPTGRM5PDGFRBPDGFRACHRNB2
Hydrochloric Acid SCHEMBL1476494 0.99 MAPT (0.43) MAPTGRM5PDGFRBPDGFRACHRNB2
Hydrochloric Acid SCHEMBL1476495 0.99 MAPT (0.43) MAPTGRM5PDGFRBPDGFRACHRNB2
SCHEMBL1477491 0.84 MAPT (0.47) MAPTGRM5PDGFRBCHRNB2CHRNA4
SCHEMBL1477488 0.84 MAPT (0.47) MAPTGRM5PDGFRBCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1477557 0.82 MAPT (0.46) MAPTGRM5PDGFRBCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1477554 0.82 MAPT (0.46) MAPTGRM5PDGFRBCHRNB2CHRNA4
SCHEMBL1477293 0.77 MAPT (0.56) MAPTGRM5PDGFRBKDR
SCHEMBL1477039 0.77 MAPT (0.55) MAPTGRM5EGLN1
Hydrochloric Acid SCHEMBL1477229 0.75 MAPT (0.54) MAPTGRM5EGLN1

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 3882/4885GRM5 48/4885PDGFRB 2886/4885

“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.