SCHEMBL1476744

SCHEMBL1476744

C#Cc1ncccc1Br.Cc1cc2cc-2c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL1477049 0.85 CYP2A6 (0.33) GRM5HDAC8
SCHEMBL5700439 0.84
SCHEMBL1476624 0.78 GRM5 (0.38) GRM5PSMD14COPS5ALDH1A1HDAC8
SCHEMBL13730699 0.73 HDAC8 (0.34) GRM5PSMD14COPS5ALDH1A1HDAC8
SCHEMBL1477483 0.71 CYP2A6 (0.40) GRM5BCHEACHE
Hydrochloric Acid SCHEMBL1477173 0.70 CYP2A6 (0.39) GRM5BCHEACHE
SCHEMBL1173370 0.69
SCHEMBL29994170 0.69
SCHEMBL12811658 0.67 GRM5 (0.41) GRM5HDAC8
SCHEMBL30038734 0.66 AXL (0.33) GRM5ALDH1A1

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 48/4885PSMD14 2194/4885COPS5 549/4885

“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.