SCHEMBL1478622

SCHEMBL1478622

COc1cncc(C#Cc2ccc(F)c(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.55
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
ROCK1 Q13464 1/20 0.36
DYRK1A Q13627 1/20 0.36
NTRK3 Q16288 1/20 0.36
PKN2 Q16513 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL1478458 0.89 GRM5 (0.54) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1476253 0.88 GRM5 (0.52) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1477957 0.87 GRM5 (0.51) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1476657 0.87 GRM5 (0.51) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1477082 0.87 GRM5 (0.51) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1477124 0.84 CYP11B2 (0.51) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1476840 0.84 CYP11B1 (0.53) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1476923 0.84 GRM5 (0.57) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1477600 0.82 GRM5 (0.47) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1477296 0.82 GRM5 (0.47) GRM5CHRNB2CHRNA4CYP11B1CYP11B2

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 3 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

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.