SCHEMBL1476852

SCHEMBL1476852

Cc1ccc(C#Cc2cncc(C#N)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.58
CYP2A6 P11509 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNB3 Q05901 1/20 0.44
RAF1 P04049 1/20 0.43
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL1477628 0.88 CYP11B2 (0.42) GRM5CYP2A6ALDH1A1CHRNB2RAF1
SCHEMBL1477361 0.83 GRM5 (0.42) GRM5CHRNB2RAF1
SCHEMBL1476655 0.82 RAF1 (0.44) GRM5CYP2A6RAF1CYP11B1CYP11B2
SCHEMBL1476613 0.82 RAF1 (0.41) GRM5CYP2A6ALDH1A1RAF1CYP11B1
SCHEMBL1477545 0.82 GRM5 (0.49) GRM5CYP2A6ALDH1A1RAF1
SCHEMBL1477122 0.81 MAOA (0.44) GRM5CYP11B1CYP11B2
SCHEMBL1476558 0.81 CHRNB2 (0.51) GRM5CHRNB2CYP11B1CYP11B2
SCHEMBL1477360 0.81 GRM5 (0.55) GRM5CHRNB2RAF1
SCHEMBL1477242 0.81 APP (0.53) GRM5CYP11B1CYP11B2
SCHEMBL1476865 0.81 GRM5 (0.65) GRM5CHRNB2RAF1

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 48/4885CYP2A6 1624/4885ALDH1A1 3485/4885

“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.