SCHEMBL1477071

SCHEMBL1477071

N#Cc1cncc(C#Cc2ccc(F)c(C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.44
VNN1 O95497 1/20 0.41
HNF4A P41235 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAP2K1 Q02750 1/20 0.39
HAO1 Q9UJM8 2/20 0.38
FFAR1 O14842 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 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
SCHEMBL1477817 0.88 GRM5 (0.43) GRM5VNN1CYP11B1CYP11B2
SCHEMBL1479159 0.84 MTOR (0.44) GRM5VNN1CYP11B1CYP11B2
SCHEMBL1476889 0.84 GRM5 (0.46) GRM5VNN1CYP11B1CYP11B2MAP2K1
SCHEMBL1477123 0.84 GRM5 (0.48) GRM5VNN1
SCHEMBL30361968 0.82 MAP2K1 (0.51) GRM5VNN1MAP2K1SLC22A12
SCHEMBL284291 0.82 MAP2K1 (0.51) GRM5VNN1MAP2K1SLC22A12
SCHEMBL1477267 0.81 CYP11B1 (0.46) GRM5CYP11B1CYP11B2
SCHEMBL1477296 0.80 GRM5 (0.47) GRM5HNF4ACYP11B1CYP11B2HAO1
SCHEMBL1477498 0.80 CYP11B1 (0.43) GRM5CYP11B1CYP11B2
SCHEMBL1476905 0.78 CYP11B1 (0.51) CYP11B1CYP11B2FFAR1

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 48/4885VNN1 2112/4885HNF4A 1140/4885

“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.