SCHEMBL1476263

SCHEMBL1476263

N#Cc1cncc(C#Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
GRM5 P41594 6/20 0.52
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
FFAR1 O14842 1/20 0.43
PTPN1 P18031 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
CTSS P25774 1/20 0.41

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
SCHEMBL1477358 0.91 GRM5 (0.51) CHRNB2CHRNA4GRM5CYP3A4CYP3A5
SCHEMBL1476533 0.84 GRM5 (0.53) GRM5
SCHEMBL1477617 0.83 CHRNB2 (0.52) CHRNB2CHRNA4GRM5GRIN1GRIN2B
SCHEMBL1476835 0.82 CHRNB2 (0.51) CHRNB2CHRNA4GRM5GRIN1GRIN2B
SCHEMBL1477038 0.82 CHRNB2 (0.51) CHRNB2CHRNA4GRM5FFAR1PTPN1
Hydrochloric Acid SCHEMBL1477692 0.82 CHRNB2 (0.51) CHRNB2CHRNA4GRM5GRIN1GRIN2B
SCHEMBL1477390 0.82 CHRNB2 (0.51) CHRNB2CHRNA4GRM5GRIN1GRIN2B
Hydrochloric Acid SCHEMBL1477085 0.81 CHRNB2 (0.50) CHRNB2CHRNA4GRM5FFAR1PTPN1
Hydrochloric Acid SCHEMBL1478860 0.81 GRM5 (0.54) CHRNB2CHRNA4GRM5GRIN1GRIN2B
Hydrochloric Acid SCHEMBL1478196 0.81 CHRNB2 (0.50) CHRNB2CHRNA4GRM5FFAR1PTPN1

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 3 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

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 CHRNB2 57/4885CHRNA4 6/4885GRM5 48/4885

“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.