SCHEMBL1476752

SCHEMBL1476752

COc1ccccc1C#Cc1cncc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
GRM5 P41594 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AR P10275 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PAX8 Q06710 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PRKCQ Q04759 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
SCHEMBL1478870 0.82 PTGDR2 (0.47) AAK1PRKCQ
SCHEMBL1476807 0.81 CYP11B1 (0.44) GRM5CHRNB2CHRNA4
SCHEMBL1476932 0.80 RAF1 (0.49) GRM5FFAR1CHRNB2CHRNA4
SCHEMBL1477115 0.78 GRM5 (0.53) HPGDSGRM5CHRNB2CHRNA4
SCHEMBL1476631 0.77 CHRNB2 (0.55) GRM5CHRNB2CHRNA4
SCHEMBL1476892 0.77 PTGDR2 (0.44) GRM5FFAR1CHRNB2CHRNA4
SCHEMBL1476830 0.77 CYP11B2 (0.41) HPGDSGRM5ARCHRNB2CHRNA4
SCHEMBL1477015 0.77 PDE5A (0.44) HPGDSMEN1KMT2AALDH1A1AR
SCHEMBL1477360 0.76 GRM5 (0.55) GRM5CHRNB2CHRNA4
SCHEMBL1476533 0.76 GRM5 (0.53) GRM5

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 HPGDS 2766/4885GRM5 48/4885MEN1 4247/4885

“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.