SCHEMBL1476892

SCHEMBL1476892

N#Cc1cncc(C#Cc2ccccc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
GRM5 P41594 3/20 0.40
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
RAF1 P04049 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAPT P10636 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
SCHEMBL1476807 0.85 CYP11B1 (0.44) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1476932 0.81 RAF1 (0.49) GRM5FFAR1CHRNB2CHRNA4CYP11B1
SCHEMBL1476631 0.81 CHRNB2 (0.55) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1477360 0.79 GRM5 (0.55) GRM5CHRNB2CHRNA4RAF1MAPT
SCHEMBL1476752 0.77 HPGDS (0.47) GRM5FFAR1CHRNB2CHRNA4
SCHEMBL1477122 0.76 MAOA (0.44) GRM5KCNH2CYP11B1CYP11B2MAPT
SCHEMBL1476533 0.75 GRM5 (0.53) GRM5
SCHEMBL1477037 0.75 CHRNB2 (0.54) GRM5KCNH2CHRNB2CHRNA4
SCHEMBL1477628 0.75 CYP11B2 (0.42) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL3835808 0.75 CYP2A6 (0.49) PTGDR2GRM5CHRNB2CHRNA4

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 PTGDR2 334/4885GRM5 48/4885KCNH2 325/4885

“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.