SCHEMBL1477545

SCHEMBL1477545

Cc1ccc(C)c(C#Cc2cncc(C#N)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
FFAR1 O14842 2/20 0.42
RAF1 P04049 1/20 0.41
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1476613 0.88 RAF1 (0.41) GRM5FFAR1RAF1CYP2A6ALDH1A1
SCHEMBL1476932 0.83 RAF1 (0.49) GRM5FFAR1RAF1CYP2A6
SCHEMBL1476852 0.82 GRM5 (0.58) GRM5RAF1CYP2A6ALDH1A1
SCHEMBL1476655 0.79 RAF1 (0.44) GRM5RAF1CYP2A6
SCHEMBL1476865 0.78 GRM5 (0.65) GRM5RAF1
SCHEMBL1477361 0.76 GRM5 (0.42) GRM5RAF1
SCHEMBL1477628 0.74 CYP11B2 (0.42) GRM5RAF1CYP2A6ALDH1A1
SCHEMBL1476807 0.73 CYP11B1 (0.44) GRM5RAF1
SCHEMBL101714 0.71 TSHR (0.52) GRM5FFAR1CYP2A6ALDH1A1
SCHEMBL30509593 0.71 TSHR (0.52) GRM5FFAR1CYP2A6ALDH1A1

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 48/4885FFAR1 416/4885RAF1 4597/4885

“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.