SCHEMBL1476831

SCHEMBL1476831

Cc1cncc(C#Cc2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.49
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
EGLN1 Q9GZT9 3/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
CYP2A6 P11509 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL1476993 0.82 GRM5 (0.46) GRM5CHRNB2CHRNA4CYP2A6CYP11B1
SCHEMBL1477480 0.81 GRM5 (0.55) GRM5CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1477172 0.79 GRM5 (0.53) GRM5CHRNB2CHRNA4
SCHEMBL1477875 0.78 CHRNB2 (0.45) GRM5CHRNB2CHRNA4EGLN1EGLN3
SCHEMBL1476848 0.78 GRM5 (0.46) GRM5CHRNB2CHRNA4EGLN1EGLN3
SCHEMBL1477251 0.78 CHRNB2 (0.45) GRM5CHRNB2CHRNA4
SCHEMBL1476558 0.78 CHRNB2 (0.51) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1476923 0.77 GRM5 (0.57) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL1477310 0.76 GRM5 (0.45) GRM5CHRNB2CHRNA4EGLN1EGLN3
SCHEMBL16289454 0.76 GRM5 (0.50) GRM5CHRNB2CHRNA4CYP2A6CYP11B1

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.